TY - GEN
T1 - 1.34 TFLopS molecular dynamics simulation for NaCl with a special-purpose computer
T2 - 2000 ACM/IEEE Conference on Supercomputing, SC 2000
AU - Narumi, Tetsu
AU - Susukita, Ryutaro
AU - Koishi, Takahiro
AU - Yasuoka, Kenji
AU - Furusawa, Hideaki
AU - Kawai, Atsushi
AU - Ebisuzaki, Toshikazu
N1 - Publisher Copyright:
© 2000 IEEE.
PY - 2000
Y1 - 2000
N2 - We performed molecular dynamics (MD) simulation of 9 million pairs of NaCl ions with the Ewald summation and obtained a calculation speed of 1.34 Tflops. In this calculation we used a special-purpose computer, MDM, which we are developing for the calculations of the Coulomb and van der Waals forces. The MDM enabled us to perform large scale MD simulations without truncating the Coulomb force. It is composed of WINE-2, MDGRAPE-2 and a host computer. WINE-2 accelerates the calculation for wavenumber-space part of the Coulomb force, while MDGRAPE-2 accelerates the calculation for real-space part of the Coulomb and van der Waals forces. The host computer performs other calculations. We performed MD simulation with the early version of the MDM system: 45 Tflops of WINE-2 and 1 Tflops of MDGRAPE-2. The peak performance of the final MDM system will reach 75 Tflops in total by the end of the year 2000.
AB - We performed molecular dynamics (MD) simulation of 9 million pairs of NaCl ions with the Ewald summation and obtained a calculation speed of 1.34 Tflops. In this calculation we used a special-purpose computer, MDM, which we are developing for the calculations of the Coulomb and van der Waals forces. The MDM enabled us to perform large scale MD simulations without truncating the Coulomb force. It is composed of WINE-2, MDGRAPE-2 and a host computer. WINE-2 accelerates the calculation for wavenumber-space part of the Coulomb force, while MDGRAPE-2 accelerates the calculation for real-space part of the Coulomb and van der Waals forces. The host computer performs other calculations. We performed MD simulation with the early version of the MDM system: 45 Tflops of WINE-2 and 1 Tflops of MDGRAPE-2. The peak performance of the final MDM system will reach 75 Tflops in total by the end of the year 2000.
KW - Ewald method
KW - Molecular dynamics simulation
KW - Special-purpose computer
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U2 - 10.1109/SC.2000.10016
DO - 10.1109/SC.2000.10016
M3 - Conference contribution
AN - SCOPUS:85105740186
T3 - Proceedings of the International Conference on Supercomputing
BT - SC 2000 - Proceedings of the 2000 ACM/IEEE Conference on Supercomputing
PB - Association for Computing Machinery
Y2 - 4 November 2000 through 10 November 2000
ER -