Re: [OMPI users] Res: Gromacs run in parallel

2010-06-08 Thread Jeff Squyres
No, I'm sorry -- I wasn't clear. What I meant was, that if you run: mpirun -np 4 my_mpi_application 1. If you see a single, 4-process MPI job (regardless of how many nodes/servers it's spread across), then all is good. This is what you want. 2. But if you're seeing 4 independent 1-process

Re: [OMPI users] Res: Gromacs run in parallel

2010-06-08 Thread Carsten Kutzner
On Jun 8, 2010, at 3:06 PM, Jeff Squyres wrote: > I know nothing about Gromacs, but you might want to ensure that your Gromacs > was compiled with Open MPI. A common symptom of "mpirun -np 4 > my_mpi_application" running 4 1-process MPI jobs (instead of 1 4-process MPI > job) is that you compi

Re: [OMPI users] Res: Gromacs run in parallel

2010-06-08 Thread Jeff Squyres
I know nothing about Gromacs, but you might want to ensure that your Gromacs was compiled with Open MPI. A common symptom of "mpirun -np 4 my_mpi_application" running 4 1-process MPI jobs (instead of 1 4-process MPI job) is that you compiled my_mpi_application with one MPI implementation, but

[OMPI users] Res: Gromacs run in parallel

2010-06-08 Thread lauren
The version of Gromacs is 4.0.7. This is the first time that I using Gromacs, then excuse me if I'm nonsense. Wich part of md.log output should I post? after or before the input description? thanks for all, and sorry De: Carsten Kutzner Para: Open MPI Users