Re: Parallelisation

[Ahmad Reza Motezakker]

Dear Rudolf,

Yes, I tune the skin before setting LB. Thank you very much for your help.

Best regards,

Ahmad Reza

---

From: Rudolf Weeber <weeber@icp.uni-stuttgart.de>
Sent: Friday, January 14, 2022 3:48:41 PM
To: Ahmad Reza Motezakker
Cc: espressomd-users@nongnu.org
Subject: Re: Parallelisation

 

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