Publication Category: HPC and Hardware Development

  • Fully Integrated FPGA Molecular Dynamics Simulations

    SC ’19, November 17–22

    The implementation of Molecular Dynamics (MD) on FPGAs has received substantial attention. Previous work, however, has consisted of either proof-of-concept implementations of components, usually the range-limited force; full systems, but with much of the work shared by the host CPU; or prototype demonstrations, e.g., using OpenCL, that neither implement a whole system nor have competitive

  • Molecular Dynamics Range-Limited Force Evaluation Optimized for FPGAs

    2019 IEEE 30th International Conference on ASAP

    FPGA Molecular Dynamics was much studied from 2004-2010. Due to limited chip resources of that era, and the inherent variety and complexity of tasks comprising Molecular Dynamics simulations (MD), those FPGA accelerators relied on host or embedded processors to organize and pre-process input and output data. This introduced long latency for data movement between simulation

  • OpenCL for HPC With FPGAs: Case Study in Molecular Electrostatics

    2017 IEEE HPEC

    FPGAs have emerged as a cost-effective accelerator alternative in clouds and clusters. Programmability remains a challenge, however, with OpenCL being generally recognized as a likely part of the solution. In this work we seek to advance the use of OpenCL for HPC on FPGAs in two ways. The first is by examining a core HPC