[gmx-users] Error in NVT equilibration step

John Whittaker johnwhittake at zedat.fu-berlin.de
Tue Mar 5 11:56:13 CET 2019


> Fatal error:
> There is no domain decomposition for 48 ranks that is compatible with
> the
> given box and a minimum cell size of 3.33469 nm
> Change the number of ranks or mdrun option -rdd or -dds
> Look in the log file for details on the domain decomposition
>
> Is there anyone who nows what should I do with this error?

http://www.gromacs.org/Documentation/Errors#There_is_no_domain_decomposition_for_n_nodes_that_is_compatible_with_the_given_box_and_a_minimum_cell_size_of_x_nm

It looks like you are trying to use too many processors to run a small
simulation.



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