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Re: [ESPResSo-users] activate magnetostatics method DipolarDirectSumCpu

From: Rudolf Weeber
Subject: Re: [ESPResSo-users] activate magnetostatics method DipolarDirectSumCpu
Date: Fri, 10 May 2019 16:31:59 +0200
User-agent: Mutt/1.9.4 (2018-02-28)

On Fri, May 10, 2019 at 09:05:12PM +0800, address@hidden wrote:
> I think the DipolarDirectSumCpu is a long range interaction and the command 
> of mpi version will divide the whole box into local boxes so that each node 
> sees everything on its own local box and on one layer of cells. Due to that, 
> the DipolarDirectSumCpu can't work fine! Is that why I could not activate 
> magnetostatics method DipolarDirectSumCpu with the command of mpi version? If 
> it's true, how can I calculate the dipolar interaction with open boundary?
The dipolar direct sum on th CPU is not parallelized. You can only use it on a 
single core.
The remaining simulation is typically suited for a single cpu core.

There is a gpu implementation (DipolarDirectSumGpu) optimized for systems with 
more than ~2000 magnetic particles.
For large systems (>~10000 dipoles), you can use the P2NFFT method
It scales as N log N in the number of dipoles (as opposed to N^2 for direct 
summatoin). The supplementary information contains usage examples for ESPResSo.

Hope that helps!
Regards, Rudolf

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