parameter setting

Run-time issues concerning Yambo that are not covered in the above forums.

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xtbu
Posts: 16
Joined: Sat Jul 20, 2019 4:15 am

parameter setting

Post by xtbu » Sat Jul 20, 2019 7:59 am

How to set the following parameters to save resources? Expect someone to answer the question.Thanks a lot
BS_CPU= "1 1 32" # [PARALLEL] CPUs for each role
BS_ROLEs= "k eh t" # [PARALLEL] CPUs roles (k,eh,t)
X. T. Bu
Beijing Institute of Technology, China

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Daniele Varsano
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Re: parameter setting

Post by Daniele Varsano » Sat Jul 20, 2019 6:15 pm

Dear xtbu,
please sign your post with your name and affiliation. This is a rule of the forum.
You can do it once for all by filling your signature in the user panel.

You can find useful information about parallelisation for the BSE equation in Sec. 8.5 of this paper.
https://iopscience.iop.org/article/10.1 ... 48X/ab15d0

In order to save memory, you can avoid setting by hand the BS_CPU and BS_ROLEs variable and use the variable
PAR_def_mode="memory"

other options for this variable are "balanced" and "workload".
This variable appears in the input file by setting the verbosity option -V "par" in the command line to generate inputs e.g.
yambo -b -o b -k sex -y d -V par

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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