[CP2K:6419] PLUMED 2 only running on 1 core

[Iain Bethune]

Hi Omar,

Thanks for pointing this out - I have tried locally and it is indeed a bug.  I’ll get back to you when I have a fix.

Cheers

- Iain

--

Iain Bethune
Project Manager, EPCC

Email: ibet... at epcc.ed.ac.uk
Twitter: @IainBethune
Web: http://www2.epcc.ed.ac.uk/~ibethune
Tel/Fax: +44 (0)131 650 5201/6555
Mob: +44 (0)7598317015
Addr: 2404 JCMB, The King's Buildings, Peter Guthrie Tait Road, Edinburgh, EH9 3FD

> On 28 Apr 2015, at 08:10, Valsson <omar.v... at gmail.com> wrote:
> 
> Hello, 
> 
> I am trying to use CP2K with PLUMED 2 using the built-in interface but I am having the problem that PLUMED 2 seems to run only in serial. 
> 
> I launch CP2K (popt binary) on 24 cores but in the PLUMED.OUT file I obtain 
> 
> PLUMED: Running over 1 node
> PLUMED: Number of threads: 1
> 
> so it seems that PLUMED 2 is running on only 1 core while cp2k is using 24 cores. 
> 
> So my question is, does the plumed 2 interface in cp2k only run plumed 2 in serial? Or I am doing something wrong in the compilation of cp2k? 
> 
> Note that I am using the same plumed 2 compilation with Gromacs and there plumed runs in parallel without any problems. 
> 
> Regards,
> Omar
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+uns... at googlegroups.com.
> To post to this group, send email to cp... at googlegroups.com.
> Visit this group at http://groups.google.com/group/cp2k.
> For more options, visit https://groups.google.com/d/optout.


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