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

2010-06-08 Thread Carsten Kutzner
Ok, 1. type 'which mdrun' to see where the mdrun executable resides. 2. type ldd 'which mdrun' to find out against which mpi library it is linked 3. type which mpirun (or which mpiexec, whatever you use) to verify that this is the right mpi launcher for your mdrun. 4. If the MPI's do not match, ei

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

2010-06-08 Thread lauren
I saw Host: pid: nodeid: 0 nnodes: 1 really it`s running in 1 node and All of you really undestood my problem, thanks But how can I fix it. How can I run 1 job in 4 nodes...? I really need help, I took a look in my files and erase all the errors and the implementations seem corect. From the

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

2010-06-08 Thread lauren
oh! ok, Then I put MPI on server with 4 nodes. I have to put 1 for each? How do I do that? What's the first step in this case when I want to run 1 job in 4 nodes (the same server)? Cause all of then are make the same job again. sorry for all... De: Jeff Squy