[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
>
>
>
>
>
-
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20120516/0cef2c39/attachment.html>
More information about the users
mailing list