Centre for Advanced Macromolecular Design

Parallel Monte Carlo for Polymerisation Kinetics

This page provides the code relating to publication: A Parallelised High Performance Monte Carlo Simulation Approach for Complex Polymerisation Kinetics. Chaffey-Millar, H.; Stewart, D.; Chakravarty, M. M. T.; Keller, G.; Barner-Kowollik, C.; Macromolecular Theory and Simulation 2007 ASAP article

The companion publication: Generative Code Specialisation for High-Performance Monte-Carlo Simulations, Stewart, D.; Chaffey-Millar, H.; Keller, G. Chakravarty, M. M. T.; Barner-Kowollik, C. is available in draft form.
Code download: parapolysim-0.1.zip

The zipfile contains Haskell code and C code

The file 'README', contained in the zip file, appears below:
INTRODUCTION
============

This directory provides the code relating to publication: 
A Parallelised High Performance Monte Carlo Simulation 
Approach for Complex Polymerisation Kinetics. Chaffey-
Millar, H.; Stewart, D.; Chakravarty, M. M. T.; Keller, 
G.; Barner-Kowollik, C.; Macromolecular Theory and 
Simulation, 2007, ASAP article

This is a research version of the code and at present 
contains a number of non-production features that would 
almost certainly be removed in future versions. It is
provided without modification since this gives the 
maximum amount of information regarding our strategy and 
implementations that were tested.

This program is free software; you can redistribute it 
and/or modify it under the terms of the GNU Lesser 
General Public License as published by the Free Software 
Foundation; either version 2.1 of the License, or (at 
your option) any later version. This program is 
distributed in the hope that it will be useful, but 
WITHOUT ANY WARRANTY; without even the implied warranty 
of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  
See the GNU Lesser General Public License for more 
details.

REQUIREMENTS
============

Operating system: should run on most POSIX UNIX-like 
systems without much trouble.

C Compiler  the code is known to compiler with both the 
GNU Compiler Collection (gcc) and the Intel C++ Compiler 
(icc), but any C/C++ compiler should be suitable as long 
as some GNU extensions are supported.

Haskell Compiler  the system contains Haskell code and 
has been compiled successfully using the Glasgow Haskell 
Compiler (GHC).

MPI - The C portion of the software relies on there being 
an installation of a message passing interface (MPI). The 
program has been tested with MPICH2.

COMPILATION
===========

The Haskell code is located under

    generator/

and the C code is located under

    simulator/

Running 'make' will hopefully lead to a compilation on 
most systems.
Centre for Advanced Macromolecular Design (CAMD), University of NSW
Programming Languages & Systems (PLS), University of NSW