[gmx-developers] lammpi question

[David van der Spoel]

张倩 wrote:
> Hi,
>  
> 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. 
>  
try
mpirun -np 3

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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