Message-passing multi-cell molecular dynamics on the Connection Machine 5
Parallel Computing
Mersenne twister: a 623-dimensionally equidistributed uniform pseudo-random number generator
ACM Transactions on Modeling and Computer Simulation (TOMACS) - Special issue on uniform random number generation
Remark on algorithm 334 [G5]: normal random deviates
Communications of the ACM
Algorithm 334: Normal random deviates
Communications of the ACM
The Art of Molecular Dynamics Simulation
The Art of Molecular Dynamics Simulation
Understanding Molecular Simulation
Understanding Molecular Simulation
The Computational Brain
Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications
Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications
| Hi-index | 31.45 |
We report scaling results on the world's largest supercomputer of our recently developed Billions-Body Molecular Dynamics (BBMD) package, which was especially designed for massively parallel simulations of the short-range atomic dynamics in structural glasses and amorphous materials. The code was able to scale up to 72 racks of an IBM BlueGene/P, with a measured 89% efficiency for a system with 100 billion particles. The code speed, with 0.13s per iteration in the case of 1 billion particles, paves the way to the study of billion-body structural glasses with a resolution increase of two orders of magnitude with respect to the largest simulation ever reported. We demonstrate the effectiveness of our code by studying the liquid-glass transition of an exceptionally large system made by a binary mixture of 1 billion particles.