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! > > > > > > _______________________________________________ > > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131010/bde1ec56/attachment.html
