[gmx-developers] PP/ PME splitting in cvs version
hessb at mpip-mainz.mpg.de
Tue Aug 8 09:41:00 CEST 2006
Florian Haberl wrote:
>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.
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