[Pw_forum] Serial algorithm

Ramesh Kumar rameshchitumalla at gmail.com
Tue Aug 30 16:08:10 CEST 2011

On Aug 30, 2011, at 12:29 , Ramesh Kumar wrote:

>* 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.*
different default behavior. The parallel subspace diagonalization
is not always convenient wrt the serial one so it is no longer
assumed by default. You can explicitly select parallel subspace
diagonalization with command-line option "-ndiag N", with N a
square integer

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,

With this command-line option I am able to use the parallel subspace
diagonalization. Thank you very much.

*With Best Regards:*
> *
> *
> *CH. Ramesh Kumar,
> Research Student,
> Computational Chemistry Lab,
> IICT-**
> Hyderabad.
> *
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