[Pw_forum] how to expolit the parallelism
d.tiana at bath.ac.uk
Sat Apr 19 17:47:53 CEST 2014
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
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