Dear all, I'm testing how to have the best parallelism of pw.x on archer (the new uk supercomp).
I'm a bit confused on 1) task parallelisation: how choose the ntg. If I understood correctly it should be to the 3 dimension of the smooth FFT grid. Looking on the output I can only have the dense one: Dense grid: 1142409 G-vectors FFT dimensions: ( 108, 108, 192) how can I know the smooth dimensions? 2) band parallelisation: is it worthy? I think here the number I've to look is, for instance, 56 Kohn-Sham Wavefunctions 1.03 Mb ( 1201, 56) am I right? if yes, what could be a good splitting vs npool? probably more important is it alternative and better to ntg or it can be combine with it? Happy Easter to everyone Davide