[Pw_forum] PHonon Raman Spectra error

[Raymond Gasper]

Thanks very much for your assistance

Ray Gasper
Computational Nanomaterials Laboratory
ELab 204
Chemical Engineering
University of Massachusetts Amherst
402-990-4900

On Wed, Sep 30, 2015 at 8:10 AM, nicola varini <nicola.varini at epfl.ch>
wrote:

> 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)
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>
> Nicola Varini
>
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