Better parallelization strategy for BSE at Gamma Point

You can post here problems arising when using the last release of Yambo. Issues as parallelization strategy, performance issues and other technical aspects realted to the new release.

Moderators: Davide Sangalli, Daniele Varsano, andrea.ferretti, andrea marini, Conor Hogan, myrta gruning

Post Reply
javad
Posts: 34
Joined: Fri Feb 28, 2014 10:23 pm

Better parallelization strategy for BSE at Gamma Point

Post by 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

User avatar
Daniele Varsano
Posts: 2374
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Better parallelization strategy for BSE at Gamma Point

Post by 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/

Post Reply