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Explicit design of FPGA-based coprocessors for short-range force computations in molecular dynamics simulations
2008
Parallel Computing
FPGA-based acceleration of molecular dynamics simulations (MD) has been the subject of several recent studies. The short-range force computation, which dominates the execution time, is the primary focus. Here we combine: a high level of FPGA-specific design including cell lists, systematically determined interpolation and precision, handling of exclusion, and support for MD simulations of up to 256K particles. The target system consists of a standard PC with a 2004-era COTS FPGA board. There
doi:10.1016/j.parco.2008.01.007
pmid:19412319
pmcid:PMC2440579
fatcat:foc7lpzgafbrfmxn2bcr5h3td4