Dear Yambo developers
I have to perform a large BSE calculation with only one k-point,
and I would like to know if there is some strategy to decrese the memory in the BSE.
I set the PAR_def_mode= "memory" but the code still uses a lot of memory, therefore I have some questions:
Is it preferable that I parallelize more on "eh" or on "t"?
If I reduce "BSENGBlk" does it reduce the memory usage?
And what about the size of BSENGexx?
How many threads may I use to be still efficient?
best regards
Javad
Memory usage in the BSE calculations
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
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Memory usage in the BSE calculations
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
- Daniele Varsano
- Posts: 4198
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Memory usage in the BSE calculations
Dear Javad,
Best,
Daniele
It is preferable to parallelize first on "eh" and next in "t", but I'm not totally sure in term of memory distribution.Is it preferable that I parallelize more on "eh" or on "t"?
Yes, but the problem could be the dimension of your matrix, it is written in the report file.If I reduce "BSENGBlk" does it reduce the memory usage?
And what about the size of BSENGexx?
I would not use more than 8/16, then the scaling will be not linear anymore.How many threads may I use to be still efficient?
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/
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/