Open Libbum opened 7 years ago
This hasn't come up recently, so I'm closing for now. Will re-open if it occurs again.
I think I've found a case where this can be reproduced. Boolean test grid at 30x30x30. Will investigate.
Problem is in evolve
. There are nans in phi after the fact. Digging deeper.
On a 10x10x10 BTG there's a hit in normalise_wavefunction
from #52. Seems the /= norm
fails, meaning the .sqrt()
is probably at fault.
FYI, debug with RUST_BACKTRACE=1 cargo run > >(tee -a stdout.log) 2> >(tee -a stderr.log >&2)
Yeah. It's evolve. It's the normalisation call from evolve. We need to do #48.
I think there may be some overflow somewhere with the new performance changes (from 2b6b3803e to 7455780), as at least twice I've hit random nan issues when starting to generate the 1st excited state.
For now just keep this in mind and keep an eye on it.