Better parallelization strategy for BSE at Gamma Point

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Better parallelization strategy for BSE at Gamma Point

Postby javad » Sat Jan 27, 2018 3:25 pm

Dear Yambo developers

I have to perform a calculation at gamma point, and I would like to know which is the best
parallelization strategy in this case.

More processors on "eh" or more processors on "t"? Or a balanced distribution between the two.
And how many processors can I use in such a way to be efficient?
Is openMP convenient?

best
javad
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
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Re: Better parallelization strategy for BSE at Gamma Point

Postby Daniele Varsano » Sat Jan 27, 2018 11:28 pm

DearJavad,

you can combine both strategies, "eh" first and then " t", have a look here for a discussion about the number of cpu you can use and the efficiency of the parallelization.
OpenMP is present, but it still need a deep testing. You can have a try but at this stage, I think it is not convenient.

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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