QuOp_MPI

Introduction

QuOp_MPI is a Python 3 module for parallel distributed-memory simulation of Quantum Variational Algorithms (QVAs) with arbitrary phase-shift and mixing operators. The design, usage and performance of QuOp_MPI are covered in an article which is accessible as a preprint on arXiv. QuOp_MPI’s documentation is hosted on Read the Docs.

Publications

Package Development:

1. Matwiejew, E. & Wang, J. B. QuOp_MPI: A framework for parallel simulation of quantum variational algorithms. Journal of Computational Science 62, 101711 (2022).
2. Matwiejew, E. & Wang, J. QSW_MPI: A framework for parallel simulation of quantum stochastic walks. Computer Physics Communications 107724 (2020)

QuOp_MPI has provided numerical results for:

1. Bennett, T., Matwiejew, E., Marsh, S. & Wang, J. B. Quantum Walk-Based Vehicle Routing Optimisation. Frontiers in Physics 9, (2021).
2. Slate, N., Matwiejew, E., Marsh, S. & Wang, J. B. Quantum walk-based portfolio optimisation. Quantum 5, 513 (2021). (examples/portfolio)
3. Matwiejew, E., Pye, J., & Wang J. B. Quantum Optimisation for Continuous Multivariable Functions by a Structured Search, Preprint at https://arxiv.org/abs/2210.06227 (2022) (examples/multivariable)

Installation

1. Install Dependencies

Debian-Based Systems

sudo apt-get update -qq && apt-get -y  --no-install-recommends install \
build-essential \
pkg-config \
git \
python3-pip \
python3-dev \
open-mpi\
libhdf5-openmpi-dev \
libfftw3-dev \
libfftw3-mpi-dev

Debian-Based Systems

sudo python3 -m pip install setuptools
sudo python3 -m pip install wheel numpy scipy mpi4py nlopt pandas

Install h5py built against parallel HDF5:

sudo CC="mpicc" MPI="ON" HDF5_PKGCONFIG_NAME="hdf5-openmpi" python3 -m pip -v install --no-cache --no-binary=h5py h5py

Warning

Importing an h5py installation built against a different, or non-parallel, version of HDF5 will cause QuOp_MPI to crash when attempting to save simulation results.

Install optional Python dependancies needed to run the example programs:

sudo python3 -m pip install pandas-datareader networkx

2. Install QuOp_MPI

Debian-Based-Systems

cd ~/
git clone https://github.com/Edric-Matwiejew/QuOp_MPI
cd QuOp_MPI
python3 setup.py sdist bdist_wheel
cd dist
python3 -m pip install quop_mpi-*.tar.gz

Test the installation by running an example:

cd ../
cd examples/maxcut
python3 maxcut.py

Building QuOp_MPI’s Documentation

Install the documentation build dependencies:

python3 -m pip install sphinx sphinx-rtd-theme m2r

And in ~/QuOp_MPI:

python3 setup.py build_sphinx

Building FFTW3 and HDF5 From Source

If parallel versions of FFTW3 and HDF5 packages are not available on your system, these packages can be built from source. For a comprehensive overview of their installation, please consult the documentation provided by the FFTW and HDF5 projects. The below commands should work with most Unix-like systems:

wget https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-1.10/hdf5-1.10.6/src/hdf5-1.10.6.tar.gz
tar -xvf hdf5-1.10.6.tar.gz
cd hdf5-1.10.6
./configure --enable-fortran --enable-shared --enable-parallel --prefix=/usr/local
make && sudo make install
cd

wget http://www.fftw.org/fftw-3.3.8.tar.gz
tar -xvf fftw-3.3.8.tar.gz
cd fftw-3.3.8
./configure --enable-mpi --enable-fortran --enable-shared --prefix=/usr/local
make && sudo make install
cd

Editing .bashrc

If QuOp_MPI is unable to find the HDF5 or FFTW shared object libraries.

nano ~/.bashrc

Move to the bottom of the file and add:

export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/local/lib

Then exit Nano (saving changes) and finally,

source ~/.bashrc

Contact Information

If you encounter a bug, please submit a report via Github. If you would like to get in touch, email me at edric.matwiejew@research.uwa.edu.au.