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Re: [abinit-forum] Band/FFT parallelization and iprcel


Chronological Thread 
  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Band/FFT parallelization and iprcel
  • Date: Mon, 7 May 2007 09:17:18 +0200

Dear Guillaume, 

My guess is that it is not available in the current state of development.
Indeed, for iprcel 35 / 45, an approximate dielectric matrix has to be computed, 
and this computation is likely not parallelized over bands/FFT at present ...

Regards,
Xavier

On 30 Mar 2007, at 00:10, Guillaume Dumont wrote:

Dear all,

I was wondering if it is possible to use iprcel 35 or 45 along with the band/FFT parallization. I have some calculations that are very slow to converge when iprcel has the defaut value, but with iprcel 35 the number of SCF steps is much less. This what I observed running abinit with the k-point parallelization, but whenever I try to use iprcel 35 within a band/fft parallelization the code stops without any error message?

I am using abinit-5.3.3 compiled on an altix itanium system. If this is not available in this release, is there any development version I can get?

Regards,

--
Guillaume Dumont
=========================
guillaume.dumont.1@umontreal.ca
dumont.guillaume@gmail.com
(514) 341 5298
(514) 343 6111 ext. 13279



  • Re: [abinit-forum] Band/FFT parallelization and iprcel, Xavier Gonze, 05/07/2007

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