46 TFLOPS special-purpose computer for molecular dynamics simulations: WINE-2

Author

Narumi, Tetsu ; Susukita, Ryutaro ; Furusawa, Hideaki ; Ebisuzaki, Toshikazu

Author_Institution

RIKEN, Inst. of Phys. & Chem. Res., Saitama, Japan

Volume

1

fYear

2000

fDate

2000

Firstpage

575

Abstract

We developed WINE-2, a 46 TFLOPS computer, to accelerate molecular dynamics (MD) simulations. We need a huge computational power to understand the dynamics of large and complex molecules such as those of proteins and nucleic acids. WINE-2 is a specialized computer to accelerate the wavenumber-space part of the Ewald (1921) summation for calculating the Coulomb forces among atoms. It has a highly parallel architecture and is composed of 2,304 WINE-2 chips. We measured 29 TFLOPS of performance in the case of 24 million atoms and a half million wavenumber vectors. This sustained speed is more than seven times faster than the peak speed of the fastest supercomputer in the world

Keywords

chemistry computing; digital simulation; large scale integration; macromolecules; microprocessor chips; parallel architectures; proteins; special purpose computers; 46 TFLOPS; Coulomb forces; Ewald summation; LSI; WINE-2; WINE-2 chips; atoms; complex molecules; molecular dynamics simulations; nucleic acids; parallel architecture; parallel computer; proteins; special-purpose computer; supercomputer; virtual multiple pipeline; wavenumber vectors; wavenumber-space part; Atomic measurements; Bonding forces; Chemicals; Computational modeling; Computer simulation; Concurrent computing; Costs; Physics computing; Pipelines; Proteins;

fLanguage

English

Publisher

ieee

Conference_Titel

Signal Processing Proceedings, 2000. WCCC-ICSP 2000. 5th International Conference on

Conference_Location

Beijing

Print_ISBN

0-7803-5747-7

Type

conf

DOI

10.1109/ICOSP.2000.894557

Filename

894557