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Re: [abinit-forum] parallelism over bands in ABINIT


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  • From: Francois Bottin <Francois.Bottin@cea.fr>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] parallelism over bands in ABINIT
  • Date: Thu, 30 Nov 2006 09:17:16 +0100

Dear Dr. Dumont,
This is the orthon routine which permits to start with orthogonalized wavefunctions. The orthon in vtowfk.F90 was removed in //. These routines are very time consuming when nprocs or nband increase. You could remove this one in // as it will be in the 5.3.x release. Note that these two orthon have no influence on our results (with the lobpcg algorithm).
Regards
Francois Bottin

Guillaume Dumont wrote:

Hi,

I have noticed in my output files (for the gold case) that when the number of processors is increased the inwffil routine starts to become very time consuming, around 30% of total time at 144cpus. Any idea what could cause this routine to take that much time?

regards


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Francois Bottin tel: 01 69 26 41 73
CEA/DIF fax: 01 69 26 70 77
BP 12 Bruyeres-le-Chatel email: Francois.Bottin@cea.fr
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