[Pw_forum] Serial algorithm

[Ramesh Kumar]

>
> ------------------------------
>  On Aug 20, 2011, at 8:56 , Ramesh Kumar wrote:
>
> > Please somebody let me know about
> >
> > "Subspace diagonalization in iterative solution of the eigenvalue
> > problem:
> > a serial algorithm will be used"
>
> do you know how iterative diagonalization (or iterative
> orthonormalization in Car-Parrinello) works?
>
> 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
>

Dear Paolo Giannozzi,

The iterative diagonalization works both in serial and parallel manner.

I am writing my question in detail here. My problem is, when I use the older
version of PWScf (v.4.0.1), the output file is writing that the program is
using a parallel distributed memory algorithm and when I use the new version
(v.4.3.1), a serial algorithm was used. Would you please let me know the
possible cause.

Thank you.



*With Best Regards:*
*
*
*CH. Ramesh Kumar,
Research Student,
Computational Chemistry Lab,
IICT-**
Hyderabad.
*
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110830/d6e1d7d5/attachment.html>