Accelerating molecular dynamics simulations with configurable circuits | IEEE Conference Publication | IEEE Xplore

Accelerating molecular dynamics simulations with configurable circuits


Abstract:

Molecular dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speed-ups ...Show More

Abstract:

Molecular dynamics (MD) is of central importance to computational chemistry. Here we show that MD can be implemented efficiently on a COTS FPGA board, and that speed-ups from 31/spl times/ to 88/spl times/ over a PC implementation can be obtained. Although the amount of speed-up depends on the stability required, 46/spl times/ can be obtained with virtually no detriment, and the upper end of the range is apparently viable in many cases. We sketch our FPGA implementations and describe the effects of precision on the trade-off between performance and quality of the MD simulation.
Date of Conference: 24-26 August 2005
Date Added to IEEE Xplore: 10 October 2005
Print ISBN:0-7803-9362-7

ISSN Information:

Conference Location: Tampere, Finland

References

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