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Title of article :
Hardware accelerator for molecular dynamics: MDGRAPE-2 Original Research Article
Author/Authors :
Ryutaro Susukita، نويسنده , , Toshikazu Ebisuzaki and Kazuki Koketsu، نويسنده , , Bruce G. Elmegreen، نويسنده , , Hideaki Furusawa، نويسنده , , Kenya Kato، نويسنده , , Atsushi Kawai، نويسنده , , Yoshinao Kobayashi، نويسنده , , Takahiro Koishi، نويسنده , , Geoffrey D. McNiven، نويسنده , , Tetsu Narumi، نويسنده , , Kenji Yasuoka، نويسنده ,
Issue Information :
دوهفته نامه با شماره پیاپی سال 2003
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Abstract :
We developed MDGRAPE-2, a hardware accelerator that calculates forces at high speed in molecular dynamics (MD) simulations. MDGRAPE-2 is connected to a PC or a workstation as an extension board. The sustained performance of one MDGRAPE-2 board is 15 Gflops, roughly equivalent to the peak performance of the fastest supercomputer processing element. One board is able to calculate all forces between 10 000 particles in 0.28 s (i.e. 310000 time steps per day). If 16 boards are connected to one computer and operated in parallel, this calculation speed becomes ∼10 times faster. In addition to MD, MDGRAPE-2 can be applied to gravitational N-body simulations, the vortex method and smoothed particle hydrodynamics in computational fluid dynamics.
Keywords :
Special purpose computer , molecular dynamics
Journal title :
Computer Physics Communications
Link To Document :