Avogadro crashes when analyzing ORCA output files

cryos / avogadro

Avogadro 1 is not under active development, the repository was archived in September 2021. Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

http://avogadro.cc/

GNU General Public License v2.0

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Avogadro crashes when analyzing ORCA output files #930

Open ghost opened 4 years ago

ghost commented 4 years ago

I am using Ubuntu 18.04 and downloaded Avogadro via the GUI Ubuntu Software program. Avogadro crashes when I am analyzing output files from ORCA especially frequency calculations output files. I am wondering if there's just some package the GUI download haven't included. Because I think, this will run normally when using Avogadro on windows. Thanks a lot!

Screenshot from 2019-10-05 17-47-31

tkd3679 commented 3 years ago

Did you do the Orca calculation with Multiprocessing turned on? I have had a lot more sucess reading Orca output files in Avogadro if I run the job single threaded.