Closed pwndr3 closed 3 years ago
I have gotten this error on small molecules too but when I increase the number of samples above some threshold. Maybe this is the limit of simulator.
Hi @pwndr3 and @wait-a-sec. The error "probabilities do not sum to 1" is a known numpy issue that can be fixed by renormalizing the probability vector. Please note that we have fixed this in the latest release, Release 0.16.0, of The Walrus. Please install the latest version of The Walrus (0.16.0) and that will solve the problem. Thanks.
Thank you for informing @soranjh !
Thanks @soranjh, closing issue!
Issue description
When running GBS for molecular vibronic spectra, I would occasionally (~5% of the time) get the following error:
I've tried with different molecules, but this error would only occur to one of them.
The data used comes from Firefly electronic structure calculation and model formic acid. Here is a snippet (data included) that will eventually throw an error (at iteration ~15-30)
Strawberry Fields: a Python library for continuous-variable quantum circuits. Copyright 2018-2020 Xanadu Quantum Technologies Inc.
Python version: 3.9.6 Platform info: macOS-11.5.1-x86_64-i386-64bit Installation path: /usr/local/lib/python3.9/site-packages/strawberryfields Strawberry Fields version: 0.18.0 Numpy version: 1.19.4 Scipy version: 1.5.4 SymPy version: 1.8 NetworkX version: 2.5.1 The Walrus version: 0.15.1 Blackbird version: 0.3.0 TensorFlow version: 2.5.0-rc2