[QE-users] [SUSPECT ATTACHMENT REMOVED] Error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred"

[Will DeBenedetti]

Hi Paolo,

Your attachments were scrubbed. Can you upload them somewhere so I/we can take a look? I have worked extensively with bulk anatase and anatase slabs in QE.

On Jul 5, 2018, at 9:21 PM, Paolo Costa <paolo.costa85 at gmail.com<mailto:paolo.costa85 at gmail.com>> wrote:

Dear all,

I am a beginner user of Quantum ESPRESSO.
I am trying to optimize the cell unit of anastase (vc-relax) TiO2 but I get always the same error "Finished with exit code 174 - forrtl: severe (174): SIGSEGV, segmentation fault occurred".
However, when I tried to optimize only the atoms position (relax) I don't get any errors and I have a regular termination.
I attached the input files, the output files and the script for running Quantum ESPRESSO.

Please, can somebody help me to find out the problem?

Thanks.

Paolo
--
Paolo Costa, Ph.D.
Postdoctoral Researcher
Department of Chemistry and Biomolecular Sciences
University of Ottawa
10 Marie Curie, Ottawa, ON K1N 6N5, Canada
Room number: DRO 326 (D'Iorio Hall)
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Will DeBenedetti
Cornell University

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