Re: [OMPI users] Gromacs run in parallel

2010-06-06 Thread Carsten Kutzner
Hi, which version of Gromacs is this? Could you post the first lines of the md.log output file? Carsten On Jun 5, 2010, at 10:23 PM, lauren wrote: > sorry my english.. > > I want to know how can I run Gromancs in parallel! > Because when I used > > mdrun & > mpiexec -np 4 mdrun_mpi -v -d

[OMPI users] Gromacs run in parallel

2010-06-05 Thread lauren
sorry my english.. I want to know how can I run Gromancs in parallel! Because when I used mdrun & mpiexec -np 4 mdrun_mpi -v -deffnm em to run the minimization in 4 cores > all cores make the same job, again! They don't run together. I want all in parallel make the job faster. what coul