PLUMED 2 only running on 1 core

Valsson omar.v... at
Tue Apr 28 07:10:05 UTC 2015


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 

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. 

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list