Re: [gmx-users] domain decomposition errors

Thanks david: the chrash error is : Making 2D domain decomposition 4 x 2 x 1 starting mdrun 'PLASMEPSIN 2 in water' 3000 steps, 6.0 ps. Step 33, time 0.066 (ps) LINCS WARNING relative constraint deviation after LINCS: rms 1.084460, max 31.492893 (between atoms 3168 and 3169) bonds that r

Re: [gmx-users] domain decomposition errors

pedro alberto valiente flores wrote: Hi gromacs users: I' am trying to run a MD simulation of PlmII+Inhibitor system in cubic box (59002 atoms) with gromacs 4.0.5 on 8 processors, but my simulation crashes. In attach are files.tgz which contains the log (PlmII+PepstatinA_free.log) and error file

[gmx-users] domain decomposition errors

Hi gromacs users: I' am trying to run a MD simulation of PlmII+Inhibitor system in cubic box (59002 atoms) with gromacs 4.0.5 on 8 processors, but my simulation crashes. In attach are files.tgz which contains the log (PlmII+PepstatinA_free.log) and error files (BSA.err.%j). However, I can run the