Parallel Processor Design and Implementation for Molecular Dynamics Simulations on a FPGA-Based Supercomputer

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Provided by: Academy Publisher
Topic: Hardware
Format: PDF
The design and implementation of an FPGA core that parallelizes all the necessary operations to compute the non-bonded interactions in a MD simulation with the purpose of accelerating the LAMMPS MD software is presented in this paper. The authors' MD processor core comprised of 4 identical pipelines working independently in parallel to evaluate the non-bonded potentials, forces and virials was implemented on the nodes of a FPGA-based supercomputer named Maxwell. Implementing their FPGA core on multiple nodes of Maxwell allowed the user to produce a special-purpose parallel machine for the hardware acceleration of MD simulations.
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