[Pw_forum] PHonon Raman Spectra error
nicola varini
nicola.varini at epfl.ch
Wed Sep 30 14:10:57 CEST 2015
Ok I got what you miss: if you would like to restart with a different
number of processor you must specify
wf_collect=.true. as the error suggest you.
Error in routine phq_readin (1):
pw.x run with a different number of processors. Use wf_collect=.true.
The best way to understand which options pw.x takes is to use
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html
as a reference.
Here,
http://www.quantum-espresso.org/wp-content/uploads/Doc/INPUT_PW.html#idp32096,
it explains what wf_collect does.
While
http://www.quantum-espresso.org/wp-content/uploads/Doc/user_guide/node18.html
is a good description for the parallelization level.
Now if I take the parallelization info at the beginning of your code I see
Parallel version (MPI), running on 32 processors
path-images division: nimage = 4
K-points division: npool = 4
R & G space division: proc/nbgrp/npool/nimage = 2
Nocp;a
On 29/09/15 17:38, Raymond Gasper wrote:
> Use wf_collect=.true.
--
Nicola Varini, PhD
Scientific IT and Application Support (SCITAS)
Theory and simulation of materials (THEOS)
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+41 21 69 31332
http://scitas.epfl.ch
Nicola Varini
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