QSW_MPI

Overview

QSW_MPI provides an parallel framework for quantum stochastic simulation. For an overview of package usage and the theoretical basis of quantum stochastic walks please consult the documentation, or preprint article.

Requirements

• GNU make
• GNU Fortran 5 or higher
• A functional MPI implementation
• HDF5

• Python 3.6.9 or higher with python packages packages:

  • mpi4py
  • NumPy
  • SciPy
  • H5py
  • Matplotlib
  • Networkx

Installation

After cloning the repository enter 'QSW_MPI/src' and build the Fortran shared object libraries:

make

After this the QSW_MPI package may be used by importing the 'QSW_MPI' folder to python's system path at runtime:

import sys
sys.path.append('path_to/QSW_MPI')
import qsw_mpi as qsw

Or, to install 'QSW_MPI' as normal, in the 'QSW_MPI' folder generate a distribution archive:

python3 setup.py sdist bdist_wheel

Enter the newly created 'QSW_MPI/dist' folder which should contain the archive 'qsw_mpi-0.0.1.tar.gz'. For with the QSW_MPI can be installed using pip3:

pip3 install qsw_mpi-0.0.1.tar.gz

Documention

To obtain a local copy of the documentaion, with python package Sphinx and the Read the Docs Sphinx Theme installed, enter QSW_MPI/docs and build the documentation:

make html

Usage

A usage example is included in 'QSW_MPI/examples'. The is run by issuing the terminal command:

mpiexec -N 2 python3 example.py

QSW_MPI Package Contents Overview

Program Files

• qsw_mpi/

  • __init__.py - Python package initialization.
  • MPI.py - Parallel operations, quantum stochastic walk system creation and propagation.
  • operators.py - Creation of local quantum stochastic walk operators.
  • measure.py - Extract results from propagated walks.
  • io.py - Input and output of results.
  • plot.py - Basic visualization of results.

• src/

  • Makefile - Makefile to produce foperators and fMPI shared object libraries.
  • foperators.f90 - Source code for foperators shared object library.
  • fMPI.f90 - Source code for fMPI shared object library.
  • iso_precisions.f90 - Defines fortran precision types.
  • sparse.f90 - Sparse data representation and parallel BLAS operations.
  • one_norms.f90 - Parallel 1-norm estimation.
  • expm.f90 - Parallel calculation of the action of the matrix exponentional on a complex vector.
  • operatots.f90 - Creation of local and distributed quantum stochastic walk operators.

Other Files

• README.rst - QSW_MPI basic information.
• LICENSE - QSW_MPI license.
• setup.py - Configuration file used to generate a distribution archieve.
• MANIFEST.in - Additional files to include in the distribution archive.

• examples/

  • example.py - Usage example detailed in "QSW_MPI: A framework for parallel simulation of quantum stochastic walks".

• benchmark/

  • RUN_ME.sh - Benchmark automation bash script.
  • graphgen.py - Creation of test graph sets.
  • steps.py - Performs a quantum stochastic walks on the generated graphs.
  • plot_results.py - Plots time as a function of MPI processes.

• docs/

  • Makefile - Documentaion make script for Unix-like systems.
  • make.bat - Documenation build script for Windows systems.
  • requirements.txt - Requirements to build documentation of Read the Docs.
  • source/ - Documenation source files and images.