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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