[gmx-users] Avoiding domain decomposition error

Ricardo Oliveira dos Santos Soares rsoares at fcfrp.usp.br
Tue Nov 19 17:59:33 CET 2013


Hello fellow users, 
is there a direct way of checking the domain decomposition viability before running a job, thus avoiding wasting large queue times on a shared cluster only to receive the attached error? 
Is this something that can be done with aid of g_tune_pme? 

Here's the link to this well know issue: 
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 

Thanks, 

Ricardo. 




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