[gmx-users] pdb2gmx illegal instruction

Dongsheng Zhang dong at pampas.chem.purdue.edu
Wed Mar 22 04:14:36 CET 2006

Dear Erik,

Thank you very much for your help. When I check command under ../bin
directory, I only find mdrun_mpi (which is related mpi), not mpirun. I
have tried mpirun (because I find some people used mpirun in the mailing
list), the computer complained "mpirun not found".
Could you please tell me why mdun_mpi expected one node even though I
had given -np 8 (what is the error message means)?

Best Wishes!


On Wed, 2006-03-22 at 00:48 +0100, Erik Lindahl wrote:
> > mdrun_mpi -np 8 mdrun -np 8 -s pr -o pr -c after_pr -e pr -g pr  -v  
> > -N 8
> This won't work. You should start mdrun_mpi, using the program  
> (mpirun or something) specified by your MPI library. There is no  
> standard for this, so consult the documentation for your MPI  
> implementation.
> Cheers,
> Erik
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