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[ESPResSo-devel] Peculiar velocity of particles in LB


From: Marcello Sega
Subject: [ESPResSo-devel] Peculiar velocity of particles in LB
Date: Mon, 15 Dec 2014 16:32:40 +0100

Dear all,

I was checking the velocity of particles with respect to the LB fluid
(aka peculiar velocity) under shear, and found out that the kinetic
energy obtained from the peculiar velocity is roughly 20% higher than
what one would expect from [thermostat lb]. The temperature of the
fluid, on the contrary, is fine.

Did anybody check this before?

In case, a minimal script to reproduce the problem is attached.

M.

P.S: yes, rotation is off :) The configuration is

#define MASS
#define PARTIAL_PERIODIC
#define ELECTROSTATICS
#define EXTERNAL_FORCES
#define CONSTRAINTS
#define LB_GPU
#define LB_BOUNDARIES_GPU
#define LENNARD_JONES

and the version is

commit 1092b239956dfb39b0fc50f5777c8d755388bfe9
Author: Axel Arnold <address@hidden>
Date:   Fri Nov 28 21:55:57 2014 +0100

    make IBM test work on 3 nodes


-- 
Institut f├╝r Computergest├╝tzte Biologische Chemie
University of Vienna
PGP public key on MIT server http://goo.gl/zlIZix

Attachment: peculiar.tcl
Description: Tcl script


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