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Re: Parallelisation


From: Rudolf Weeber
Subject: Re: Parallelisation
Date: Fri, 14 Jan 2022 15:48:41 +0100

Hi Ahmad,

for a fixed concentration, the computation time will be roughtly proportional 
to the number of particles.
You should probably check the output of
system.cell_system.get_state()
to see whether the MD cell size is bigger than what you expect. 
Btw: Did you tune the skin (system.cell_system.tune_skin). Needs to be done 
before LB is switched on.

Regards, Rudolf



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