<div dir="ltr"><div><div> Dear QE community,<br><br></div>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?<br>
<br>I have read the user guide and find an example with many parameters formed a kind of hierarchy:<br><br>mpirun -np 4096 ./neb.x -nimage 8 -npool 2 -ntg 4 -ndiag 144 -input my.input<br><br></div><div>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?<br>
</div><div><br></div>Thanks in advance!<br><br></div>