Molecular Dynamics Example Program

This program computes the position and energy of atoms arranges in a matrix. The temperature, kinetic energy, and potential energy is calculated given the position of each atom. The atoms are then moved to a new location based on the forces exerted upon them by other atoms.

Converted from CM Fortran

The MD code was originally developed at the Pittsburgh Supercomputing Center as for the TMC CM-2 computer. This code iteratively calculates the positions of Argonne atoms by calculating the force exerted on each atom by the other atoms and then moving the atoms new locations based on this force.

Uses Dome's dVector Objects

The code was originally written in CMFortran and used Fortran90 style arrays. Dome provides dVector objects which are similar to Fortran90 style arrays.
Here we demonstrate the visualization of the movement of atoms and also how the dVector objects are load balanced over time: