This code project is associated with the paper "Multithreaded event-chain Monte Carlo with local times", Botao Li, Synge Todo, A. C. Maggs, Werner Krauth (see Li2020 in References.bib).
The code project is written in Fortran 90, C++, Python, as well as shell. The following steps are required for running and testing the code, namely:
- Creating initial configurations of hard spheres.
- Creating the constraint graph that is used in the simulations.
- Running reference simulations with variable numbers of threads in order to validate the multithreaded algorithm.
- Running the multithreaded code in Validate and Benchmark modes.
All programs can be compiled and run individually. For ease of use, driver scripts are provided
in the Scripts/ directory. Use of scripts ensures that output is placed
in a new directory, in the Run/ directory tree. The scripts also suggest consistent options
for all the programs. The scripts also create symbolic links to the starting
data and initialization files.
The user should switch to the Scripts directory (cd Scripts on Linux) and
run from within this directory, then examine the results in subdirectories of
the Run/ directory. Each script creates a unique subdirectory.
Use of the programs requires firstly running Setup.sh in the Scripts directory,
in order to create the starting data files, which are placed in SetupData/.
(Please check The general instruction of running scripts and
The detailed description of Setup.sh.)
Other scripts can be run
in any order. The SystemDimension variable must be set to the same value
in each script, the default value is SystemDimension=256 which is the standard value
used in the paper.
The directory Fortran90/Historic/, contains code
authored by Etienne P. Bernard, who kindly contributed the
programs used in the paper "Two-Step Melting in Two
Dimensions: First-Order Liquid-Hexatic Transition", Etienne P. Bernard and
Werner Krauth (see Bernard2011
or ArXiv).
As an open-source project, the JeLLyFysh organization solicits contributions from the community. Please read the contribution guideline for details.
If you find a bug, please raise an Issue here on GitHub to let us know.
Please note that this project is released with the Contributor Covenant code of conduct. By participating in this project you agree to abide by its terms. Report unacceptable behavior to [email protected].
This project is licensed under the GNU General Public License, version 3 (see the LICENSE file).
If you have questions regarding JeLLyFysh/ParaSpheres, just raise an issue here on GitHub. We are happy to help you!
If you use JeLLyFysh/ParaSpheres in published work, please cite the following reference (see Li2020 in References.bib):
Botao Li, Synge Todo, A. C. Maggs, Werner Krauth, "Multithreaded event-chain Monte Carlo with local times" arXiv e-print: 2004.11040 (2020).
If you use the historic Fortran90 code of JeLLyFysh/ParaSpheres in published work, please cite the following reference (see Bernard2011 in References.bib):
Etienne P. Bernard and Werner Krauth, "Two-Step Melting in Two Dimensions: First-Order Liquid-Hexatic Transition" Phys. Rev. Lett. 107, 155704 (2011).