miniqmc input that's representative of QMCPack

[jeacook]

I'm trying to quantitatively show (hardware level) that miniqmc is actually representative of QMCPack. We're using the CORAL2 NiO input, but not sure how to configure miniqmc to match that. Is this possible, and if so, which -g size really matches the CORAL2 NiO input?

[ye-luo]

Based on the size chart
-g "2 2 2" corresponds to the CORAL2 size.

[ye-luo]

miniQMC captures the most computationally intensive pieces of QMCPACK but per piece percentage may differ significantly.

[markdewing]

There has been some information about miniQMC-QMCPACK performance added on the wiki page https://github.com/QMCPACK/miniqmc/wiki/Comparing-performance-with-QMCPACK

[prckent]

Besides the system size, setting the acceptance ratio is critical: to emulate DMC a ratio around 0.999 is needed. DMC nearly always accepts a move. Miniqmc's default currently emulates a typical VMC run.