MD is a program which simulates the behavior of a collection of N particles in a box, by computing their positions, velocities and accelerations at STEP_NUM regularly spaced times.
The program does some initialization, and then enters an integration loop. The results of each time step are summarized by printing the time, and the kinetic and potential energies (whose sum should be constant).
The main work occurs in the function update; most of the rest of the work is carried out in function compute.
Here are "completed" versions of the programs.
(Access to these files
may be restricted until everyone has had a chance to work on the problems!)
You can go up one level to the OpenMP page.