----- Original Message ----- From: fancy2012 <[email protected]> Date: Tuesday, October 12, 2010 15:12 Subject: [gmx-users] problem of parallel run in gromacs-4.5.1 To: gmx-users <[email protected]>
> Dear GMX users, > I did some MD in parallel using gromacs-4.5.1, but it > failed to work! But it worked successfully when didn't use parallel version! > It showed like this: Will use 12 particle-particle and 4 PME only nodes > I searched the archive, and I found that someone also have this problem using > gromacs-4.0.7. But I still don't find a effective way to solve it. Could > someone give me some suggestion? Thanks very much in advance! If that's the last thing reported by mdrun, then you have a gross MPI problem. If not, tell us the actual error message - "failed to work" is a useless diagnostic. Mark
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