[Pw_forum] Advice on Electron-Phonon Calculations

[Carlos Reis]

Dear pwscf users and developers,

I am using pwscf successfully. Both the serial and mpi versions work very well.

My setup is a gigabit cluster of quad-core pc's running Linux.

I am trying to setup an electron-phonon calculation for a large system with
many k-points, and I managed do take advantage of the k-point parallelization
implemented in pw.x for the nscf ground state calculation.

The calculation of the phonons in parallel also worked reasonably well
although I still
don't know how to make ph.x to write  the large *.dwf and *.bar files
in the /tmp of each
node  (or even if that is possible). The main problem however is that when
I activate the electron-phonon calculation  (elph=.true.) I get the  message:

"pools and a2F not implemented"

Is there some other way to do this electron-phonon calculation taking
advantage of
parallelization over the k-points?.

Is there a better strategy for distributing the electron-phonon
calculation among the nodes?

Any advice on this is welcome.

I would also like to congratulate the pwscf developers for their excellent work.

Best regards, Carlos.

-- 
Carlos Loia Reis
Centro de Física Teórica e Computacional
Complexo Interdisciplinar da Universidade de Lisboa
Av. Prof. Gama Pinto, 2
P-1649-003 Lisboa, Portugal.