Robert K. Yates

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We demonstrate that the Qbox code supports unprecedented large-scale First-Principles Molecular Dynamics (FPMD) applications on the BlueGene/L supercomputer. Qbox is an FPMD implementation specifically designed for large-scale parallel platforms such as BlueGene/L. Strong scaling tests for a Materials Science application show an 86% scaling efficiency(More)
We describe Miranda, a massively parallel spectral/compact solver for variable-density incompressible flow, including viscosity and species diffusivity effects. Mi-randa utilizes FFTs and band-diagonal matrix solvers to compute spatial derivatives to at least 10th-order accuracy. We have successfully ported this communication-intensive application to(More)
We investigate solidification in tantalum and uranium systems ranging in size from 64,000 to 524,288,000 atoms on the IBM BlueGene/L computer at LLNL. Using the newly developed ddcMD code, we achieve performance rates as high as 103 TFlops, with a performance of 101.7 TFlop sustained over a 7 hour run on 131,072 cpus. We demonstrate superb strong and weak(More)
Blue Gene/L represents a new way to build supercomputers, using a large number of low power processors, together with multiple integrated interconnection networks. Whether real applications can scale to tens of thousands of processors (on a machine like Blue Gene/L) has been an open question. In this paper, we describe early experience with several physics(More)
BlueGene/L (BG/L), developed through a partnership between IBM and Lawrence Livermore National Laboratory (LLNL), is currently the world's largest system both in terms of scale, with 131,072 processors, and absolute performance , with a peak rate of 367 Tflop/s. BG/L has led the last four Top500 lists with a Linpack rate of 280.6 Tflop/s for the full(More)
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