Dear all,
I am a beginner user of Yambo. I tried to complete the BSE calculation according to the official Yambo tutorial. I successfully calculated steps 01_Static screening and 02_kernel, but when calculating step 03_diagonalisation, I encountered the following error:
[ERROR] Writing File ./2DBSE//ndb.BS_head_Q1; Variable NOT DEFINED; NetCDF: HDF error
I personally speculate that the computational load is too large to perform the diagonalisation, or there may be an issue with my yambo-5.3.0 compilation.
I hope I can get some help.
Variable NOT DEFINED; NetCDF: HDF error
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano
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Luo
- Posts: 1
- Joined: Fri Oct 18, 2024 8:21 am
Variable NOT DEFINED; NetCDF: HDF error
Luo
PhD
Xiangtan University
PhD
Xiangtan University
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Daniele Varsano
- Posts: 4252
- Joined: Tue Mar 17, 2009 2:23 pm
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Re: Variable NOT DEFINED; NetCDF: HDF error
Dear Luo,
can you please post in attachment the input and report file of your calculations?
When attaching the files you would need to rename them with an allowed suffix e.g. .txt
Best,
Daniele
can you please post in attachment the input and report file of your calculations?
When attaching the files you would need to rename them with an allowed suffix e.g. .txt
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/
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/