[gmx-developers] PP/ PME splitting in cvs version

[Berk Hess]

Florian Haberl wrote:

>Hi, 
>
>i've mailed with Carsten Kutzner, and he said there is a huge performance 
>improvement in cvs version of gromacs, which is reached by PP/ PME node 
>splitting. So i want to try it:
>
>Normal calculation: mpirun -np x mdrun -deffnm test -v 
>works fine with cvs version
>
>so i tried new flag -npme but i 'm not sure how to use it
>
>mpirun -np 4 mdrun -deffnm test -v -npme 1 (running on two seperate nodes each 
>dual cpu, so one seperate for pme)
>
>wont work and produce error
>
>  
>
Seperate PME nodes only work with domain decomposition.
I will add a check for this.

Berk.