Hello Justin, I am running in parallel but this error comes up with 8, 7, 6, 5, 4 and even 3 number of processors. I read about domain decomposition on the website and tried less number of processors, as just mentioned. My understanting after reading about the error is that parallel simulation is not working with a small system as mine! but there are 11000 atoms in there and I am doing FE stuff... I dont see why this is considered as small simulation! ============================= There is no domain decomposition for 4 nodes that is compatible with the given box and a minimum cell size of 5.70044 nm Change the number of nodes or mdrun option -rdd or -dds ========================= Also I checked the manual for the options below but I have no clue what value to set for my system.
-rdd real 0 The maximum distance for bonded interactions with DD (nm), 0 is determine from initial coordinates -dds real 0.8 Minimum allowed dlb scaling of the DD cell size *************************************** Thanks, Moeed BTW: About mdp setting for electrostatics, I have set zero charges to all atoms so there is no electrostatics term ( I have only C and H). Thats why I commented out ;coulombtype = PME
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