[Pw_forum] MPI

[Mike Klymenko]

Thank you very much! This is exactly what I need, i.e. clear relationship
between the computational procedure parameters and command's parameters.


2013/10/9 Paolo Giannozzi <paolo.giannozzi at uniud.it>

> 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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> > Pw_forum at pwscf.org
> > http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
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