Difficulties using parallel processing

Submitted by akottlan on Tue, 01/23/2018 - 09:56

Hi everyone!

I'm currently trying to do a parallelization of my simulation.
The simulation does not fail, but the results are not plausible.
For initialization the particles are given a gaussian distributed velocity, to get rid of the unoccupied areas on the subdomain borders.
After that step the particles are stoped using a set comand.
A VDW-cohesion model is activated to form particle-clusters. Unfortunately, the subdomain borders reappear at this point.
The particles move away from the borders. Is there no interaction between the particle/atoms if they are in different subdomains and only interact via a surfaceClose model?

The input script starts like this:
##############
atom_style sphere
atom_modify map array
boundary p p f
newton off
processors 4 4 1

communicate single vel yes

Has someone got any idea what the problem/solution could be?

Thanks in advance
Andreas