Calculation aborts

You can find here problems arising when using old releases of Yambo (< 5.0). Issues as parallelization strategy, performance issues and other technical aspects.

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jannisk93
Posts: 5
Joined: Tue Mar 09, 2021 6:18 pm

Calculation aborts

Post by jannisk93 » Fri Apr 30, 2021 9:58 am

Dear Yambo developers,

I have been trying to get to run Yambo on an HPC. For testing, I was trying to compute a dielectric function with RPA (with 26 electrons & spinors, if that's somehow important), but the calculation crashes. I attached the input and one of the log files. Now, I think it is not unlikely that the problem actually lies in the compilation, so I'm also appending the configure command that I used. I would appreciate a lot if you could have a look and tell me whether something is wrong.

Best regards,
Jannis Krumland
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Jannis Krumland
PhD student
Humboldt-Universität zu Berlin

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Daniele Varsano
Posts: 4231
Joined: Tue Mar 17, 2009 2:23 pm
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Re: Calculation aborts

Post by Daniele Varsano » Fri Apr 30, 2021 10:04 am

Dear Jannis,

please insert your affiliation when sign your posts, you can do once for all filling the signature in the user profile.
It is not really clear what happened there, anyway one easy solution should be to re-compile yambo with --disable-time-profile option given when running the configure.
Please remember to do make clean_all before doing so.

Best,
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/

jannisk93
Posts: 5
Joined: Tue Mar 09, 2021 6:18 pm

Re: Calculation aborts

Post by jannisk93 » Fri Apr 30, 2021 10:31 am

Thank you for the quick reply. Adding this option did the trick.

Have a nice day,
Jannis
Jannis Krumland
PhD student
Humboldt-Universität zu Berlin

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