[gmx-users] There is no domain decomposition error

Dhrubajyoti Maji dmaji43 at gmail.com
Mon Jun 10 07:39:23 CEST 2019

Dear gromacs users,
         I am studying a system of molten acetamide in GROMACS-2018.3. I
have run EM and then NPT equilibration of 5 ns. Here-under, everything is
fine but when I try to run a 50 ns NPT production run the following error
occurs :
There is no domain decomposition for 56 ranks that is compatible with the
given box and a minimum cell size of 0.57125 nm
Change the number of ranks or mdrun option -rcon or -dds or your LINCS
        I have checked gromacs documentation error and could not find
anything fruitful. The mdp file for equilibration and production are almost
same except for number of steps.
Could you please tell what is going wrong and how to solve it ?
Thanks in advance.
Dhrubajyoti Maji

More information about the gromacs.org_gmx-users mailing list