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).
Thanks for any help!
Seg. Fault in ypp when processing excitons from slepc solver
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
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Seg. Fault in ypp when processing excitons from slepc solver
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Vatsal A. Jhalani
Postdoctoral Scholar | Department of Applied Physics
California Institute of Technology
Postdoctoral Scholar | Department of Applied Physics
California Institute of Technology
- Davide Sangalli
- Posts: 614
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Re: Seg. Fault in ypp when processing excitons from slepc so
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.
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.
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/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
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- Posts: 17
- Joined: Mon Jan 22, 2018 8:23 pm
Re: Seg. Fault in ypp when processing excitons from slepc so
Ciao Davide,
I apologize, what a silly typo. I am using ver. 4.3.0 (not 4.0.3) r.15248 of Yambo.
I apologize, what a silly typo. I am using ver. 4.3.0 (not 4.0.3) r.15248 of Yambo.
Vatsal A. Jhalani
Postdoctoral Scholar | Department of Applied Physics
California Institute of Technology
Postdoctoral Scholar | Department of Applied Physics
California Institute of Technology
- Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Seg. Fault in ypp when processing excitons from slepc so
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
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
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/
- Davide Sangalli
- Posts: 614
- Joined: Tue May 29, 2012 4:49 pm
- Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
- Contact:
Re: Seg. Fault in ypp when processing excitons from slepc so
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.
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.
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/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/