[gmx-users] There is no domain decomposition for nodes that is compatible
s.neumann08 at gmail.com
Wed Feb 5 13:55:10 CET 2014
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?
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