[Pw_forum] MPI

Mike Klymenko misha.klymenko at gmail.com
Wed Oct 9 19:16:01 CEST 2013

 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

Thanks in advance!
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