Re: [gmx-users] Software inconsistency error: One or more interactions were multiple assigned in the domain decomposition

2012-04-23 Thread Bogdan Costescu
On Fri, Apr 20, 2012 at 14:49, Olivia Waring owar...@princeton.edu wrote: My invocation of mdrun, using 8 processors and the following mdp file: ... There are: 1184 Atoms ... DD  step 4 load imb.: force 181.0% Not all bonded interactions have been properly assigned to the domain

[gmx-users] Software inconsistency error: One or more interactions were multiple assigned in the domain decomposition

2012-04-20 Thread Olivia Waring
Hi Gromacs users, My invocation of mdrun, using 8 processors and the following mdp file: title = Alkanethiol SAM MD ; Run parameters integrator = md; leap-frog integrator nsteps = 50; 25 * 40 = 1000 ps, 1 ns (actually .2ns now) dt =