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Re: Parallelisation

From: Ahmad Reza Motezakker
Subject: Re: Parallelisation
Date: Wed, 19 Jan 2022 13:47:54 +0000

Dear Rudolf,

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

Best regards,

Ahmad Reza

From: Rudolf Weeber <>
Sent: Friday, January 14, 2022 3:48:41 PM
To: Ahmad Reza Motezakker
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
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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