correct discuss FFT benchmark timing for PPPM

This commit is contained in:
Axel Kohlmeyer
2025-05-27 23:40:52 -04:00
parent 5ff0f05933
commit ce44faddcf

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@ -230,12 +230,15 @@ breakdown and relative percentages. For example, trying different
options for speeding up the long-range solvers will have little impact
if they only consume 10% of the run time. If the pairwise time is
dominating, you may want to look at GPU or OMP versions of the pair
style, as discussed below. Comparing how the percentages change as
you increase the processor count gives you a sense of how different
operations within the timestep are scaling. Note that if you are
running with a Kspace solver, there is additional output on the
breakdown of the Kspace time. For PPPM, this includes the fraction
spent on FFTs, which can be communication intensive.
style, as discussed below. Comparing how the percentages change as you
increase the processor count gives you a sense of how different
operations within the timestep are scaling. If you are using PPPM as
Kspace solver, you can turn on an additional output with
:doc:`kspace_modify fftbench yes <kspace_modify>` which measures the
time spent during PPPM on the 3d FFTs, which can be communication
intensive for larger processor counts. This provides an indication
whether it is worth trying out alternatives to the default FFT settings
for additional performance.
Another important detail in the timing info are the histograms of
atoms counts and neighbor counts. If these vary widely across