[gmx-users] multiple outputs in mdrun with gromacs-4.0.3

Hi There, I have upgraded my Gromacs version from 3.3 to 4.0.3. I am using it with mpi over 24 processor and 3 nodes (each node having 8 processor). I fired an energy minimization run. while doing do, I found multiple copies of output files (.edr, .gro, .trr) instead of single file. Following is

Re: [gmx-users] multiple outputs in mdrun with gromacs-4.0.3

vivek sharma wrote: Hi There, I have upgraded my Gromacs version from 3.3 to 4.0.3. I am using it with mpi over 24 processor and 3 nodes (each node having 8 processor). I fired an energy minimization run. while doing do, I found multiple copies of output files (.edr, .gro, .trr) instead of