Segmentation fault in band interpolation wtih spin-orbit

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claudio
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Segmentation fault in band interpolation wtih spin-orbit

Post by claudio » Wed Nov 22, 2017 11:26 am

Dear developers

I report a segmentation fault in bands interpolation due to the spin-orbit.
The bug originates from the subroutine

ypp/electrons/electrons_spin_and_magn_interpolate.F

in attachment input files to reproduce the bug

regards
Claudio
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Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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Davide Sangalli
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Re: Segmentation fault in band interpolation wtih spin-orbi

Post by Davide Sangalli » Fri Nov 24, 2017 2:59 pm

Dear Claudio,
here the fix for yambo >= 4.2.
Just replace the original file in ypp/electrons with the one attached (removing the .txt extension)
It will be also released soon.

Best,
D.
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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/

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claudio
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Re: Segmentation fault in band interpolation wtih spin-orbi

Post by claudio » Fri Nov 24, 2017 3:14 pm

Grazie
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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Davide Sangalli
Posts: 614
Joined: Tue May 29, 2012 4:49 pm
Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
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Re: Segmentation fault in band interpolation wtih spin-orbi

Post by Davide Sangalli » Fri Dec 01, 2017 9:40 am

Dear Claudio,
the fix is now included in version 4.2.1

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/

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