Improving Molecular Dynamics Simulation Performance on Low-Cost Systems

TH Chew and KH Joyce-Tan and ZAM Hussein and PI Elizabeth-Chia and MS Shamsir, COMPUTING IN SCIENCE & ENGINEERING, 15, 64-70 (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.

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