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- 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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