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Re: [ESPResSo-users] activate magnetostatics method DipolarDirectSumCpu

From: Jean-Noël Grad
Subject: Re: [ESPResSo-users] activate magnetostatics method DipolarDirectSumCpu
Date: Fri, 10 May 2019 17:25:08 +0200
User-agent: Mozilla/5.0 (X11; Linux i686; rv:60.0) Gecko/20100101 Thunderbird/60.6.1

Dear Ricky,

Apparently the code for the DipolarDirectSumCpu class calls a function that throws an error if more than 1 thread is used. Unfortunately this is not mentioned in the documentation. I'm not too familiar with magnetostatics methods, maybe someone more knowledgeable can advise you on MPI-enabled alternatives in Espresso.

Concerning the prefactor issue, I was able to reproduce it. This is quite surprising, accessing the prefactor attribute before adding the dipolar class to the list of actors resets it to zero.

I've opened two issues on our tracker, you can check the progress there:

Thanks for reporting these issues to us.

On 5/10/19 3:05 PM, address@hidden wrote:
Dear all,

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?




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