running yambo but has no response

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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gaohan
Posts: 15
Joined: Sun Feb 07, 2021 3:56 am

running yambo but has no response

Post by gaohan » Fri Apr 09, 2021 7:30 am

Dear developers,
Sometimes I run "yambo",but there has been no output "r-q100_rim_cut_optics_dipoles_kernel_chi". I often need to submit it several times until it finally runs.
The command I use to generate the input is "yambo -F yambo.in_RPA -V RL -J q100 -o c -k hartree"
My parallel commit script is "mpirun -np $NP -machinefile $PBS_NODEFILE yambo -F yambo.in_RPA -J q100".
Have you encountered similar problems?
Looking forward to your reply. Thanks very much!
Han Gao
School of Physics, State Key Laboratory of Crystal Materials, Shandong University, Jinan 250100, Shandong, China

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Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
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Re: running yambo but has no response

Post by Daniele Varsano » Sun Apr 11, 2021 11:30 am

Dear Han Gao,
I can't see nothing wrong in your setup, is your problem reproducible, i.e. do you have a case when always fails?
In this case, please post your input and r_setup file.
The input file is correctly generated? In this case it seems probably a problem of the submission script and you may ask to your system administrator.

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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