Issues when calculating BSE kernel and diagonalization

Having trouble compiling the Yambo source? Using an unusual architecture? Problems with the "configure" script? Problems in GPU architectures? This is the place to look.

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If you have trouble compiling Yambo, please make sure to list:
(1) the compiler (vendor and release: e.g. intel 10.1)
(2) the architecture (e.g. 64-bit IBM SP5)
(3) if the problems occur compiling in serial/in parallel
(4) the version of Yambo (revision number/major release version)
(5) the relevant compiler error message
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Daniele Varsano
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Re: Issues when calculating BSE kernel and diagonalization

Post by Daniele Varsano » Sat Oct 04, 2025 11:28 am

Dear Mantasha,
I can't see anything wrong with your input file. Can you check if you have any error message in your submission output file or in one of the log files?

Can you also check if ndb.BS* is present in your report/ directory?
Can you try to rerun setting: BSENGBlk=167 RL

Not related with your issue: cutoff box is obsolete and cutoff "slab z" is suggested for 2d systems.

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/

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