[Wien] lapw0_mpi

[L. D. Marks]

I don't think there are any parameters for lapw0_mpi. Since lapw0 does not 
take long, I would simply reduce the number of processors since I think 
most of the lapw0 looping is over the inequivalent atoms.

On Fri, 3 Mar 2006, Chiung-Yuan Lin wrote:

> Regarding the question I post on Feb 27 about the errors of a large case on
> lapw0_mpi, since no one has any comment on that yet, I guess I may need to
> ask my questions in a slightly different way:
>
> 1. UG provdes a way to estimate the amount of memory required for a
> particular number of atoms/unit cell. Does "# of atoms" means # of
> inequivalent atoms or "physical" atoms?
> 2. Are there dimension parameters to be tuned for lapw0 for different
> sizes of cases? In the case of lapw1, the parameters are NMATMAX and
> NUME.
> I wonder if I can tune such parameters in lapw0 to fix problems for large cases.
>
> Thank you,
> Chiung-Yuan
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Note: if you have an old email address for me, please note that "nwu" has
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Laurence Marks
Department of Materials Science and Engineering
MSE Rm 2036 Cook Hall
2220 N Campus Drive
Northwestern University
Evanston, IL 60201, USA
Tel: (847) 491-3996 Fax: (847) 491-7820
email: L-marks at northwestern dot edu
http://www.numis.northwestern.edu
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