How to restart in BSE Kernel loop?

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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

wufeng
Posts: 24
Joined: Fri Dec 15, 2017 4:17 am

Re: How to restart in BSE Kernel loop?

Post by wufeng » Sat Jan 13, 2018 5:39 pm

Davide Sangalli wrote:Thanks for the report.
Did you try to just distribute over "t" ?

Best,
D.
Yes I tried eh16-t4.

As this system has 4 k-points, the maximum t is (4*eh)*(4*eh+1). So with 64 processors, is the model with maximum t k1-eh2-t32? Thanks.

Best,
Feng
Feng Wu
Chemistry and Biochemistry department,
University of California, Santa Cruz
95064 CA, United States

User avatar
Davide Sangalli
Posts: 643
Joined: Tue May 29, 2012 4:49 pm
Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
Contact:

Re: How to restart in BSE Kernel loop?

Post by Davide Sangalli » Sun Jan 14, 2018 11:21 pm

There are 4 points in the IBZ, but 6 in the BZ.
The maximum should be 6*eh*7*eh/2=21*eh^2

So, yeah, you can do 2*32.
Some unbalance is expected since the code will distribute 84 transition blocks on 32 CPUs.

Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/

Locked