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Re: [ESPResSo-devel] [bug #44133] Temperature in LB_GPU is too high

From: Marcello Sega
Subject: Re: [ESPResSo-devel] [bug #44133] Temperature in LB_GPU is too high
Date: Fri, 30 Jan 2015 17:45:48 +0100


If I remember right, once I noticed that with "high" frictions the
momentum that is transferred back to the fluid tends to diverge with
time. This could be a limitation introduced by the fact that we are
approximating the forces (as Ulf commented once, one should use
midpoint or Crank-Nicolson approximation instead).  For proper
integration, anyway, one should have dt * gamma << 1. In this regime
the fluid should have no problem. Did you check that ?


On Fri, Jan 30, 2015 at 5:38 PM, Joost de Graaf <address@hidden> wrote:
> Follow-up Comment #1, bug #44133 (project espressomd):
> We just checked how the deviations depend on the particle friction. For a
> friction of 10 (instead of 2), the fluid temperature is unaffected, but the
> particle temperature deviation is 5 times higher (and closer to the higher
> fluid temperature). This suggests that the error happens in the fluid and the
> particles are just perturbed from their proper temperature by the coupling
> with the improperly thermalized fluid.
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