Title :
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
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;
Conference_Titel :
Signal Processing Proceedings, 2000. WCCC-ICSP 2000. 5th International Conference on
Conference_Location :
Beijing
Print_ISBN :
0-7803-5747-7
DOI :
10.1109/ICOSP.2000.894557
