[Pw_forum] Speeding up the calculations

Paolo Giannozzi giannozz at democritos.it
Sun Aug 15 16:29:56 CEST 2010

On Aug 15, 2010, at 9:52 , Mehmet Topsakal wrote:

> You can try Small Displacement Method ( see http:// 
> www.homepages.ucl.ac.uk/~ucfbdxa/ ) which has different idea than  

not necessarily a better idea, though

> I am mainly doing Phonon calculation, which generally is time  
> consuming ( even in parallel). I just want to know if there is any  
> possible way to speed up the calculations

use a good compiler and machine-optimized mathematical libraries; use  
a parallel
computer with fast interconnects; read the user guide about  
parallelization; see
also in examples/GRID_example how to split phonon calculations

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

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