error with yambo-4

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samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

error with yambo-4

Post by samaneh » Mon Sep 05, 2016 7:38 am

Dear Developers,
I have done gw with yambo 4-0-2 and also yambo 3-4-1
I could get the band structure with yambo 3-4-1 without any problem
but I could not get it with the same setup using yambo -4-0-2!!!
I attached the input file and the file that it makes, which is including some errors related to the
memory!!!
I should note that I used even less cpus with more memory for yambo-4-0-2 compare to the yambo-3!!!!
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S. Ataei, PhD student at University of Tehran, Iran.

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Daniele Varsano
Posts: 4198
Joined: Tue Mar 17, 2009 2:23 pm
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Re: error with yambo-4

Post by Daniele Varsano » Mon Sep 05, 2016 8:54 am

Dear Samaneh,

Unfortunately I can't see the error, the file you included does not help and it is not related with memory.
I general ypp can be easily launched in serial.

In any case please note:
In order to calculate bands you need to:
1) remove Trev symmetry
2) Launch a yambo setup in the FixSymm directory
3) Ypp bands.

You have the step 1-3 all together in the same run and it may cause problems.
Try to redo the post-processing and if problems arise, please post at what point the ypp stops and error message if any.

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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