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Re: [abinit-forum] question about wfoptalg

From: Gilles Zerah <gilles.zerah@cea.fr>
To: forum@abinit.org
Subject: Re: [abinit-forum] question about wfoptalg
Date: Thu, 20 Oct 2005 13:11:58 +0200

Hi,
If you can wait the coming release, the (blocked)lobpcg algorithm (wfoptalg=4) has been parallelized
in the norm conserving case (the paw version should come next).
It can be used for the number of procs you mention.
Gilles Zerah

Hi,

I have a question about the blocked conjugate gradient algorithms
(wfoptalg=1,11) in ABINIT 4.6.4.

Was this intended to be used with a large number (16-32) of
processors? Will this scale well on large systems?

Bests,
--
Nichols A. Romero, PhD.
1613 Denise Dr. Apt. D
Forest Hill, MD 21050
443-567-8328 (C)
410-306-0709 (O)

question about wfoptalg, Nichols A. Romero, 10/18/2005
- Re: [abinit-forum] question about wfoptalg, Gilles Zerah, 10/20/2005
  - Message not available
    - Message not available
      - Re: [abinit-forum] question about wfoptalg, Gilles Zerah, 10/21/2005
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    - Message not available
      - Thoughts about forum mailing list, Xavier Gonze, 10/21/2005
        
        Re: [abinit-forum] Thoughts about forum mailing list, Anglade Pierre-Matthieu, 10/21/2005
        
        Re: [abinit-forum] Thoughts about forum mailing list, Fernando D. Vila, 10/21/2005