Jaron T. Krogel
Jaron T. Krogel
If you choose either edge of the selection window, you will systematically bias the result to be high or low. If you choose the middle, you are biasing the result...
If you don't want to choose, but like the aesthetics of same-input/same-output, we could just make a hash of the input data and use that to seed the rng.
Thoughts here?
The equilibration detection algorithm is heuristic and meant for convenience (good faith attempt at statistically valid result) rather than to be relied on in all cases for production. I will...
Food for thought on selecting RNG's: https://www.pcg-random.org/statistical-tests.html#testu01-s-crush-and-bigcrush-batteries
Investigating further, I computed overlaps between the outputted complex orbitals and the real ones. Below is a listing of the complex orbitals (index in first column) along with which real...
Hi Dan, Please can you upload here also the scalar.dat and dmc.dat files for the two runs? This will help to diagnose the issue further.
The issue is reproduced in the batched code on Perlmutter. See below: **Batched Polaris**  **Legacy Perlmutter**  **Batched Perlmutter** 
It's most likely that the issue relates to the population control algorithm (which differs inexplicably between the legacy and batched codes). It is also possible, but less likely, that the...