SCHEDULE: NOV 12-18, 2011

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Parallelization Design for Multi-core Platforms in Density Matrix Renormalization Group toward 2-D Quantum Strongly-correlated Systems

SESSION: Molecular Dynamics and Computational Physics

EVENT TYPE: Paper

TIME: 11:30AM - 12:00PM

AUTHOR(S):Susumu Yamada, Toshiyuki Imamura, Masahiko Machida

ROOM:TCC 304

ABSTRACT:
One of the most fascinating issues in modern condensed matter physics is to understand highly-correlated electronic structures and propose their novel device designs toward the reduced carbon-dioxide future. Among various developed numerical approaches for highly-correlated electrons, the density matrix renormalization group (DMRG) has been widely accepted as the most promising numerical scheme compared to Monte Carlo and exact diagonalization in terms of accuracy. In fact, DMRG perfectly resolves one-dimensional chain like quantum systems. In this paper, we suggest an extended approach to higher-dimensional systems with high-performance computing techniques. The computing target is a huge non-uniform sparse-matrix diagonalization. In order to efficiently parallelize the numeric part, we implement a communication-step doubling together with the reuse of the mid-point data between the two steps to avoid severe bottleneck of all-to-all communications essential for the diagonalization. The technique is successful especially for clusters composed of more than one thousand cores.

Chair/Author Details:

Susumu Yamada - Japan Atomic Energy Agency

Toshiyuki Imamura - University of Electro-communications

Masahiko Machida - Japan Atomic Energy Agency

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The full paper can be found in the ACM Digital Library