[Pw_forum] el-ph calculations

Iyad AL-QASIR iyad.ne at gmail.com
Wed May 16 23:22:33 CEST 2012


Actually, I have no problem with k-points parallelization in case of scf
calculations.

The problem is when running *.ph.in using ph.x ( with elph=.true.,)- in
this case I have to set npool =1 so the calculations will continue-.

I will try the Al example in the new version and let you know. Actually I
was running this example ( example07 in espresso example directory) using
espresso-4.0.3 and I had the same problem of using more than pool.

Many Thanks
IYAD






On Wed, May 16, 2012 at 3:51 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:

>
> On May 16, 2012, at 17:10 , Iyad AL-QASIR wrote:
>
>   What make things slow is I can not use npool >1. since this is not
>> implemented yet for el-ph calculations
>>
>
> I vaguely remember that k-point parallelization was implemented
> some time ago. In any case, if you run the example for the
> electron-phonon case (PHonon/examples/example03 in the
> new directory structure) it seems to work with -npool 2
>
> P.
> ---
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
>
>
>


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