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Seg. Fault in ypp when processing excitons from slepc solver

Posted: Thu Aug 09, 2018 1:15 am
by 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!

Re: Seg. Fault in ypp when processing excitons from slepc so

Posted: Sun Aug 12, 2018 1:27 am
by 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.

Re: Seg. Fault in ypp when processing excitons from slepc so

Posted: Mon Aug 13, 2018 3:50 am
by vjhalani
Ciao Davide,

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

Re: Seg. Fault in ypp when processing excitons from slepc so

Posted: Sat Aug 18, 2018 6:26 am
by 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

Re: Seg. Fault in ypp when processing excitons from slepc so

Posted: Thu Aug 23, 2018 11:35 am
by 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.