Improving Molecular Dynamics Simulation Performance on Low-Cost Systems
Teong Han Chew, Kwee Hong Joyce-Tan, Zeti‐Azura Mohamed‐Hussein, Pek Iee Elizabeth-Chia, Mohd Shahir Shamsir · Computing in Science & Engineering · 2013
For simulation-based work, researchers often have limited hardware capacities and budgets, so they create a low-cost parallel computing platform using PCs and commodity hardware, assembled and configured as a Beowulf-class computing cluster. Here, an astute approach (for a molecular dynamics simulation example) greatly improves performance through hardware upgrades and other tricks.