Hi, I found in the new, or maybe not so new, users guide, that 1000 atoms or so can be calculated, and new ways to paralelize.
The example in the manual is mpirun -np 4096 ./pw.x -nimage 8 -npool 2 -ntg 8 -ndiag 144 -input myinput.in I have played a bit, but not with a massive computer, and I have found that the default options are always better than my unexpert choices. So, I would like to see some hints, in addition to what is reproduced below (from the users guide), about the good choices of -ntg and -ndiag. Maybe some examples is enough to understand it.
