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! > > > _______________________________________________ > Pw_forum mailing list > 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
