[lammps-users] Kspace parameters definition

Dear ALL:

I'm planning to run a large MD simulation of disordered structure using
PPPM to handle the long rang electrostatic. My system has the following
dimensions: 65 x 65 x 197 Angstroms.
My simulation can run easily smoothly on 2 processors with

  kspace_style pppm 1.0e-05

When I increase the number of processors, I get into trouble and can no
longer have the simulation to run. I tried to introduce

  kspace_modify 120 120 240 order 7

without any success. The whole thing works fine with

  kspace_style ewald 1.0e-05

whatever the number of processors I specify. I would like to take
advantage of the speed of pppm over ewald and I desperately need help.

Best wishes,


What do you mean "get into trouble". Is there
an error message?