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! -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131009/30acd2f4/attachment.html
