[gmx-users] questions!

[David van der Spoel]

On Wed, 2004-11-10 at 08:12, 孔韧 wrote:
> I can't compile Gromacs-3.2.1 in parellel correctly!
> I do everything what the install file said. MPI was installed previously.
> But I got the error information when I do mpi_mdrun
> When I input "mdrun_mpi -np 8 -s topol.tpr -V -N 8"
> output:
> " Fatal error: run input file /data1/wangcx/gromacs/share/tutor/speptide/topol.tpr
> was made for 8 nodes,
>              while mdrun_mpi expected it to be for 1 nodes."
> 
> Parellel computation in multi node is prohibited.
> And I'm sure that I compiled the mdrun in parrellel.

try mpirun -c 8 mdrun_mpi

> 
> Thanks a lot for your answer!
> I wait it eagerly!
>                                        
>                                   Department of Bioengineering
>                                   Bei Jing University of Science and Technology 
>                                   Yours,sincerely    
>                                   RenKong
> 
> 
> 
> 
> 
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-- 
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://xray.bmc.uu.se/~spoel
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