[gmx-users] There is no domain decomposition for nodes that is compatible

Steven Neumann s.neumann08 at gmail.com
Wed Feb 5 13:55:10 CET 2014

Dear Users,

I am simulating a nanotube with bonds and LINCS = all-bonds. Because the
tube is bending I tried to apply bonds or LINCS constraints between atoms
lying oppositely within the circles (tube diameter) so I used just one to

[ bonds ]
2485    2451    1    7.46    50000

And I get:

There is no domain decomposition for 8 nodes that is compatible with the
given box and a minimum cell size of 10.2576 nm
Change the number of nodes or mdrun option -rdd or -dds
Look in the log file for details on the domain decomposition

Why LINC does not work for longer bonds - across diameter? Please, advise?
Would you suggest distance restraints instead?



More information about the gromacs.org_gmx-users mailing list