[gmx-users] Fatal error: no domain decomposition

[Patricia Saenz Méndez]

Hi!
I am trying to run a simple MD simulation as usual, but with this system I
have got the same error message:






*Fatal error:There is no domain decomposition for 160 ranks that is
compatible with thegiven box and a minimum cell size of 1.02425 nmChange
the number of ranks or mdrun option -rcon or -dds or your LINCSsettingsLook
in the log file for details on the domain decomposition*

And when looking in the log file

















*Initializing Domain Decomposition on 200 ranksDynamic load balancing:
lockedMinimum cell size due to atom displacement: 0.476 nmInitial maximum
distances in bonded interactions:    two-body bonded interactions: 0.431
nm, LJ-14, atoms 1820 1827  multi-body bonded interactions: 0.431 nm,
Proper Dih., atoms 1820 1827Minimum cell size due to bonded interactions:
0.474 nmMaximum distance for 5 constraints, at 120 deg. angles, all-trans:
0.819 nmEstimated maximum distance required for P-LINCS: 0.819 nmThis
distance will limit the DD cell size, you can override this with -rconGuess
for relative PME load: 0.18Will use 160 particle-particle and 40 PME only
ranksThis is a guess, check the performance at the end of the log fileUsing
40 separate PME ranks, as guessed by mdrunScaling the initial minimum size
with 1/0.8 (option -dds) = 1.25Optimizing the DD grid for 160 cells with a
minimum initial size of 1.024 nmThe maximum allowed number of cells is: X 7
Y 7 Z 7*

Those atoms are parte of a Met residue.
I have no clue how to solve this or what I am having this problem.
Thank you very much.
Cheers,

/P