[CP2K:4079] How to configure gfortran with mpich2?

Riping Wang wang.ri... at gmail.com
Thu Oct 11 08:29:08 UTC 2012

Hi Dominik,

I installed with 'yum install cp2k*' on my Fedora system.
There are cp2k.sopt and cp2k.ssmp appearing, respectively for single and
They works well, as I run test examples.

There is one small problem.
As I use intel mechine, It has 12 threads, but in fact only 6 core.
The  cp2k.ssmp used up all the threads.
But this is slow, because to use 6 thread is the fast.
So my question is:
How to set thread when install with yum?
Or is there any other way to set the thread to work?

Thank you very much.

WANG Riping

On 10 October 2012 18:20, Dominik 'Rathann' Mierzejewski
<rat... at gmail.com>wrote:

> Hi Riping,
> On Wednesday, 26 September 2012 at 10:51, Riping Wang wrote:
> > Dear developers,
> >
> > Compiler gfortran + mpich2 + scalapack is convenient to install in linux,
> > as just with "yum install".
> > But there is no such kind of selection in installation arch.
> > There is only two series selection for gfortran: sdbg and sopt at
> present.
> >
> > Any one can give me hints?
> Since you mentioned "yum install", I assume you're using Fedora, RedHat
> Enterprise Linux or one of its derivatives.
> Have you tried the cp2k package available in Fedora? It's also available
> for RHEL-compatibles from the EPEL repository.
> You can get the mpich2+scalapack build using
> yum install cp2k-mpich2
> Let me know how it works for you.
> Regards,
> Dominik
> --
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WANG Riping
Ph.D student,
Institute for Study of the Earth's Interior,Okayama University,
827 Yamada, Misasa, Tottori-ken 682-0193, Japan
Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)
E-mail: wang.ri... at gmail.com
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