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Using FPGA Devices to Accelerate Biomolecular Simulations...

by Sadaf R Alam, Pratul K Agarwal, Melissa Smith, Jeffrey S Vetter, David E Caliga
Publication Type
Journal
Journal Name
Computer
Publication Date
Page Number
66
Volume
40
Issue
3

A field-programmable gate array implementation of the particle-mesh Ewald a molecular dynamics simulation method reduces the microprocessor time-to-solution by a factor of three while using only high-level languages. The application speedup on FPGA devices increases with the problem size. The authors use a performance model to analyze the potential of simulating large-scale biological systems faster than many cluster-based supercomputing platforms.