Speed in the electron-phonon calculation

Post here any question you encounter when running the scripts of the yambo-py suite. Post here problem strictly to the python interface as problem coming from the yambo runs should go in the appropriate subforum.

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sdwang
Posts: 215
Joined: Fri Apr 09, 2010 12:30 pm

Speed in the electron-phonon calculation

Post by sdwang » Fri Apr 27, 2018 4:05 am

Dear all,
I am running electron-phonon coupling as described in Si example. I find if I take the random q ponit a larger number in 02 ph and 04 elph process, the phonon calculation will slowdown because the huge q point. Do we have an idea to accelerate the phonon calculation for this step since we need to test
the number of the random q point we used.

Thanks!

Shudong
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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amolina
Posts: 128
Joined: Fri Jul 15, 2011 11:23 am
Location: Valencia, Spain
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Re: Speed in the electron-phonon calculation

Post by amolina » Mon Apr 30, 2018 10:39 am

Dear Shudong,

One way to accelerate the electron-phonon calculation is to parallelize in q-points. That is, running an individual job for each q-point (using a bash or python script).

Best regards,

Alejandro.
Alejandro Molina-Sánchez
Institute of Materials Science (ICMUV)
University of Valencia, Spain

sdwang
Posts: 215
Joined: Fri Apr 09, 2010 12:30 pm

Re: Speed in the electron-phonon calculation

Post by sdwang » Sun Feb 03, 2019 2:58 pm

Dear Alejandro,
I am trying to use image to accelerate the phonon calculation but it faild when I set "fildvscf = 'dvscf'".
If I omit this item, everything is OK. My question is does the fildvscf must be set in the phonon calculation for next Yambo procedure?
Thanks!

Shudong
S. D. Wang
IMU,HOHHOT,CHINA
E-mail: sdwang@imu.edu.cn

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