Seg. Fault in ypp when processing excitons from slepc solver

[vjhalani]

Hi there!

I'm encountering an error with ypp and/or yambo (ver. 4.0.3) that ypp crashes with a Segmentation Fault when trying to process excitons with ypp -e a after using the slepc BSE solver (yambo -y s) and writing excitonic WFs to disk. This does not occur if doing the diagonalization solver (yambo -y d), and there is no crash if doing ypp -e s. The system I am running calculations on is GaN. I've attached input files for both ypp and the yambo BSE run for a small test case (as well as other requested files).

BSEFiles.zip

Thanks for any help!

[Davide Sangalli]

Ciao Vatsal,
slepc are supported only since version 4.3
Can you try it and check if it works ?

I'll have a look to your test case meanwhile.

Best,
D.

[vjhalani]

Ciao Davide,

I apologize, what a silly typo. I am using ver. 4.3.0 (not 4.0.3) r.15248 of Yambo.

[Daniele Varsano]

Dear Vatsal,

the exc analysis using slepc for the BSE is a rather new features.
We were not able to reproduce your error, but ìt we observed anyway problems when comparing with the exact diagonalization.
We will look deeply into that in the next days.

Thanks for reporting,

Daniele

[Davide Sangalli]

Dear Vatsal,
we have fixed a problem when computing the excitonic amplitudes starting from the Slepc solver in the GPL master (version 4.3).
Please notice that 4.3 is a "pre-release" and can be presently downloaded only via the git repository.

Best,
D.