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- From: "D. R. Hamann" <drhamann@mat-simresearch.com>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] Parallelism and GW
- Date: Fri, 30 Mar 2007 11:42:09 -0400
Perhaps whoever can answer this can also address the question of why in 5.3.3/tests/paral/Refs,
grep 'dielectric constant =' tN*.out gives:
tN0.out: dielectric constant = 27.4114
tN10.out: dielectric constant = 27.3806
tN1.out: dielectric constant = 27.4114
tN2.out: dielectric constant = 27.3804
tN4.out: dielectric constant = 27.3805
is considered OK? These are band-parallelism GW tests, and it looks to me as if serial (tN0 and tN1) and parallel tests give unacceptably different answers.
Don Hamann
Philippe Blaise wrote:
Please, someone could explain more in details what is written in the release notes for the 5.3 ?
B.6 *Parallelism over bands is available for GW*. See the input variable gwpara.
This parallelism allows for memory savings, and is quite efficient.
At present, either the band parallelism or the k point parallelism is available
in GW, they cannot be used simultaneously.
This has been implemented by R. Shaltaf.
(Note, however, that parallelism over bands in GW is not compatible with nsppol=2 as of v5.3.0)
Automatic test for band parallelism : paral#N
and the corresponding action of the parameter gwpara=2 : parallelisation on bands.
I'm not sure to understand : "bands" stand for matrix elements ? wavefunctions ?
Thanks a lot,
Philippe
--
D. R. Hamann
Mat-Sim Research LLC | Deptartment of Physics
P.O. Box 742 | and Astronomy
Murray Hill, NJ 07974 | Rutgers University
phone: 908-370-8079 | 732-445-4381
email: drhamann@mat-simresearch.com
- Parallelism and GW, Philippe Blaise, 03/30/2007
- Re: [abinit-forum] Parallelism and GW, D. R. Hamann, 03/30/2007
- Re: [abinit-forum] Parallelism and GW, Matteo Giantomassi, 03/30/2007
- Re: [abinit-forum] Parallelism and GW, Fabien Bruneval, 03/30/2007
- Re: [abinit-forum] Parallelism and GW, D. R. Hamann, 03/30/2007
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