Yambo Community Forum

Posted: **Thu Jan 07, 2021 10:04 pm**

Dear developers,

I am trying to run BSE calculation but it fails without error. You can find my files from link below.

https://drive.google.com/file/d/1v_TKlO ... sp=sharing

Regards,

Posted: **Fri Jan 08, 2021 10:29 am**

Dear Burak,
you have a very small excitonic matrix (dim=288) and you are using 64cpu without specifying the parallel strategy.
Yambo turns out the default as reported in the LOG:

Code: Select all

Response_T_space parallel ENVIRONMENT is incomplete. Switching to defaults

My suggestion is to use a fewer number of cpu and specify explicitly the parallel strategy, something like with 8 cpu:

Code: Select all

BS_CPU= "8 1 1"                     # [PARALLEL] CPUs for each role
BS_ROLEs= "k eh t"

Best,
Daniele

Yambo Community Forum

BSE fail

BSE fail

Re: BSE fail