parallelization in Yambo

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parallelization in Yambo

Postby hlee » Mon Jun 30, 2014 11:01 am

Dear developers:

I would like to know the parallelization schemes in different runlevels.
Specifically, I wonder how the calculation is parallelized in "-p" and "-g" run levels.

Is it parallelized over k points or bands? Or both?

Sincerely,

Hyungjun Lee
Dr. Hyungjun Lee
Institute of Theoretical Physics, EPFL
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Re: parallelization in Yambo

Postby Daniele Varsano » Mon Jun 30, 2014 11:11 am

Dear Hyungjun,
the parallelization is on q points, or |nk> states in the -g n runlevel. If you run a gamma point only calculation it is on bands,
anyway the parallelization structure will be totally changed in the next release of the code.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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