README

This is the source code of MD-PM.

MD-PM: Memoization-based Molecular Dynamics Simulation with Persistent Memory-based Big Memory Platform

MD-PM stands for Large-scale Atomic/Molecular Massively Parallel Simulator using Lookup Table.

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MD-PM is a classical molecular dynamics simulation code designed to run efficiently on big memory system. It is an open-source code, distributed freely under the terms of the GNU Public License (GPL).

The source code includes the following files and directories:

README                     this file
LICENSE                    the GNU General Public License (GPL)
bench                      benchmark problems
cmake                      CMake build files
doc                        documentation
examples                   simple test problems
fortran                    Fortran wrapper for LAMMPS
lib                        additional provided or external libraries
potentials                 interatomic potential files
python                     Python wrappers for LAMMPS
src                        source files
tools                      pre- and post-processing tools

Pre-compile locally:

% cd cmake
% cmake .
% make