[gmx-developers] lammpi question

[Ansgar Esztermann]

> I have compiled the GROMACS in parallel, but when I run the mdrun :
>    grompp -np 3 -v -f em -c b4em -o em -p 1
>    mpiexec -n 3 mdrun -v -s em -o em -c after_em -g emlog
> it comes the Fatal error:
>            run input file em.tpr was made for 3 nodes, while mdrun expected
> it to be for 1 nodes.

Did you try adding the -np option to mdrun?

$ mpiexec -n 3 mdrun -np 3 -v -s em -o em -c after_em -g emlog

By the way, you can probably get quicker response by posting your
questions to gmx-users at gromacs.org. That list is much more active than
this one (which is meant to discuss the development of Gromacs).


A.

-- 
Ansgar Esztermann
Researcher & Sysadmin
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/aeszter/index.shtml
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