[Pw_forum] Speeding up the calculations

Paolo Giannozzi giannozz at democritos.it
Wed Aug 18 12:33:40 CEST 2010

On Aug 16, 2010, at 12:12 , Bipul Rakshit wrote:

> 1. in GRID_examples, its in 4.2 version examples only.
> But I  think its just a script, and it will work with older  
> versions of espresso's also.

I don't think so: some minor changes were made to the input and the  
logic of
the phonon code

> 2. With your personal experience, is libraries like scalapack, FFTW  
> increase
> the calculation speed  (the phonon calculation especially)

my personal experience is a) reported in the user guide, b) of little  
anyway, since the actual performances of a code depend upon a large  
of factors

Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222

More information about the users mailing list