[gmx-users] Re: cg Fatal error--DD cell

maggin maggin.chen at gmail.com
Fri Jun 7 03:27:29 CEST 2013

the information on .log as follows:

Initializing Domain Decomposition on 2 nodes
Dynamic load balancing: no
Will sort the charge groups at every domain (re)decomposition
Initial maximum inter charge-group distances:
    two-body bonded interactions: 0.598 nm, LJ-14, atoms 942 950
  multi-body bonded interactions: 0.598 nm, Proper Dih., atoms 942 950
Minimum cell size due to bonded interactions: 0.657 nm
User supplied maximum distance required for P-LINCS: 0.876 nm
Using 0 separate PME nodes
Optimizing the DD grid for 2 cells with a minimum initial size of 0.876 nm
The maximum allowed number of cells is: X 7 Y 7 Z 7
Domain decomposition grid 2 x 1 x 1, separate PME nodes 0
PME domain decomposition: 2 x 1 x 1
Domain decomposition nodeid 0, coordinates 0 0 0

Table routines are used for coulomb: TRUE
Table routines are used for vdw:     FALSE
Will do PME sum in reciprocal space.

Anybody could  tell me how to fix this problem!

Thank you very much!


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