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Re: [ESPResSo-devel] [bug #34476] virtual_sites_relative not working wit
From: |
Axel Arnold |
Subject: |
Re: [ESPResSo-devel] [bug #34476] virtual_sites_relative not working with some mesh based methods (maggs, lb) |
Date: |
Tue, 4 Oct 2011 18:45:13 +0200 |
User-agent: |
KMail/1.13.5 (Linux/2.6.32-34-generic; KDE/4.4.5; i686; ; ) |
On Tuesday 04 October 2011 17:06:14 Rudolf Weeber wrote:
> Summary: virtual_sites_relative not working with some mesh
> based methods (maggs,lb)
>
> When virtual sites cross the periodic boundaries, their position is not
> immediately folded and may therefore be outside the current box.
> Some mesh based alorighms don't handle this case.
> Folding the position of the virtual site immideately after placement, on
> the other hand, breaks the calculation of short range forces.
Hi!
All particles can cross the periodic boundaries a bit without immediately
being folded, except if you choose skin=0. Any algorithm that enforces that
will not scale to large computers, since it requires a particle exchange
communication every time step. The solution is either to sort the particle
positions or to use ghost frames in Maggs (same holds I think for the CPU-LB).
Axel
--
Dr. Axel Arnold Tel: +49 711 685 63593
ICP, Universität Stuttgart Email: address@hidden
Pfaffenwaldring 27
70569 Stuttgart, Germany