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We report scaling results on the world's largest supercomputer of ourrecently developed Billions-Body Molecular Dynamics (BBMD) package, which wasespecially designed for massively parallel simulations of the atomic dynamicsin structural glasses and amorphous materials. The code was able to scale up to72 racks of an IBM BlueGene/P, with a measured 89% efficiency for a system with100 billion particles. The code speed, with less than 0.14 seconds periteration in the case of 1 billion particles, paves the way to the study ofbillion-body structural glasses with a resolution increase of two orders ofmagnitude with respect to the largest simulation ever reported. We demonstratethe effectiveness of our code by studying the liquid-glass transition of anexceptionally large system made by a binary mixture of 1 billion particles.

Molecular dynamics beyonds the limits: massive scaling on 72 racks of a BlueGene/P and supercooled glass transition of a 1 billion particles system