[gmx-developers] gromacs VERSION 4.0.7-There is no domain decomposition.....

[Hamid Mosaddeghi]

Dear users

I used gromacs for my system include CNT-water-ion-protein (400,000atom), I
used grompp without error.

after used mdrun with 16 node on cluster, I get this error:

Reading file nvt.tpr, VERSION 4.0.7 (single precision)
Loaded with Money


NOTE: Periodic molecules: can not easily determine the required minimum
bonded cut-off, using half the non-bonded cut-off


Will use 15 particle-particle and 1 PME only nodes
This is a guess, check the performance at the end of the log file

-------------------------------------------------------
Program mdrun, VERSION 4.0.7
Source code file: domdec.c, line: 5888

Fatal error:
There is no domain decomposition for 15 nodes that is compatible with the
given box and a minimum cell size of 3.75 nm
Change the number of nodes or mdrun option -rdd or -dds
Look in the log file for details on the domain decomposition
-------------------------------------------------------

"Good Music Saves your Soul" (Lemmy)

Error on node 0, will try to stop all the nodes
Halting parallel program mdrun on CPU 0 out of 16

---------------------------------------

my box size is 14*14*18.

I used mdrun -rdd 1 , gromacs run without error is it correct or not?

I get this error in NVT (Em run without error).

Best Regards.

Hamid Mosaddeghi



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