[QE-users] Parallelism PH.x calculation with fildvscf option

Fabio Costa fabiocosta4 at hotmail.com
Sat Sep 28 00:12:42 CEST 2019


Dear all

I'm aiming to study EP coupling in some materials using the EPW program. To do so, I have to run a phonons calculation with QE, in which the potential variations have to be written to a file, which can be done via the fildvscf parameter in the phonons calculation.

Aiming to sped up my calculations, I referred to the parallelism instructions presented in the PH.x user guide, and followed them exactly. Without the instruction to save these dvscf files, the calculations really speeds up. The thing is that I need these dvscf files for the EPW run, and when I turn the fildvscf option on, the phonon calculation stops with the message "saving dvscf to file images not implemented".

Is there any other parallelization scheme that would speed my calculations, and that can work while writing these dvscf files?

Thank you all for any assistance
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