Segmentation fault p2y - qe, yambo

Run-time issues concerning Yambo that are not covered in the above forums.

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lamia
Posts: 68
Joined: Mon Dec 05, 2016 5:09 pm

Segmentation fault p2y - qe, yambo

Post by lamia » Thu Jan 20, 2022 1:05 am

Dear developers,

by importing the databases from quantum espresso to Yambo after calculating the van der wall approximation I get the following error:

<---> DBs path set to .
<---> detected QE data format: qexsd
<---> == PWscf v.6.x generated data (QEXSD fmt) ==
<---> Header/K-points/Energies... done
<---> Cell data...
<---> [WARNING]Two or more crystal structures fit the given cell done
<---> Atomic data... done
<---> Symmetries...[SI no]......[-I no]...[TR yes]Segmentation fault (core dumped)

best,

Lamia
Taouil Lamia
University of Mohammed V
Faculty of science - Rabat
Morocco

andrea.ferretti
Posts: 206
Joined: Fri Jan 31, 2014 11:13 am

Re: Segmentation fault p2y - qe, yambo

Post by andrea.ferretti » Fri Jan 21, 2022 10:09 am

Dear Lamia,

in order to investigate the problem it would be useful to have some extra info, including a QE input file that can be used to reproduce the crash.
One question: when you mention van der Waals which DFT functional are you using ? (note that yambo is not compatible with non-local vdW functionals)

Andrea
Andrea Ferretti, PhD
CNR-NANO-S3 and MaX Centre
via Campi 213/A, 41125, Modena, Italy
Tel: +39 059 2055322; Skype: andrea_ferretti
URL: http://www.nano.cnr.it

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