[CP2K:3739] cp2k on IBM Blue Gene

[Iain Bethune]

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.

Cheers

- Iain

--

Iain Bethune
Applications Consultant, EPCC

Email: ibet... at epcc.ed.ac.uk
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Mayfield Road, Edinburgh, EH9 3JZ





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
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To post to this group, send email to cp... at googlegroups.com.
> To unsubscribe from this group, send email to cp2k+uns... at googlegroups.com.
> For more options, visit this group at http://groups.google.com/group/cp2k?hl=en.
> 
> 


-- 
The University of Edinburgh is a charitable body, registered in
Scotland, with registration number SC005336.