An application of our parallel MD code demonstrates the need for high efficiency and dynamic load balancing. We have used the methods described in this paper to successfully perform full-scale MD simulations of sputter-deposited thin-film fabrication. The simulations typically require over 500,000 time-steps using more than 10,000 particles (we are currently developing much larger cases). Furthermore, the substrates of interest are non-planer, including trench, step, and cylindrical shapes. Simulations of these types are not possible without dynamic load balancing mechanisms.
Figure 3 shows 1000 Ti atoms with mean energy 1.0 eV and incident angle deposited onto a trench-shaped substrate whose depth-to-width ratio is 2.5. The substrate with 32,000 Ti atoms is kept at a temperature of 300 K. Figure 4 shows the partition of the particles on all processors for one instance of the run shown in Figure 3.