[Pw_forum] MPI

[Paolo Giannozzi]

You may find this useful:
   http://www.fisica.uniud.it/%7Egiannozz/QE-Tutorial/tutorial_para.pdf
P.

On Wed, 2013-10-09 at 19:16 +0200, Mike Klymenko wrote:
> Dear QE community,
> 
> 
> I am beginner in QE.  I do successfully pw-scf and pw-hscf
> computations for silicon. I have already installed MPI libraries. What
> is the easiest way for beginner to start efficient parallelization of
> computations?
> 
> I have read the user guide and find an example with many parameters
> formed a kind of hierarchy:
> 
> mpirun -np 4096 ./neb.x -nimage 8 -npool 2 -ntg 4 -ndiag 144 -input
> my.input
> 
> 
> Do I really need  to specify all of then for scf? My computer has 32
> CPUs. I know that practice makes perfect, but could I get some
> knowledge a priory here?
> 
> 
> 
> Thanks in advance!
> 
> 
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-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222