[gmx-users] pdb2gmx illegal instruction

Dongsheng Zhang dong at pampas.chem.purdue.edu
Wed Mar 22 06:45:49 CET 2006


Dear Tom,


Thank you for your reply. Unfortunately, mpirun is not available. I can
only find mdrun_mpi which is related with mpi.


Best wishes!


Dongsheng


 On Tue, 2006-03-21 at 21:02 -0500, Tom Joseph wrote:
> Certainly you should consult your documentation, but one possibility is:
> 
> mpirun -np 8 mdrun_mpi -np 8 -s pr -o pr -c after_pr -e pr -g pr  -v - 
> N 8
> 
> --Tom
> 
> On Mar 21, 2006, at 6:48 PM, 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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