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DTSTAMP:20260422T000713Z
LOCATION:301-302-303
DTSTART;TZID=America/Denver:20231116T160000
DTEND;TZID=America/Denver:20231116T163000
UID:submissions.supercomputing.org_SC23_sess162_pap545@linklings.com
SUMMARY:FASDA: An FPGA-Aided, Scalable, and Distributed Accelerator for Ra
 nge-Limited Molecular Dynamics
DESCRIPTION:Chunshu Wu (Boston University); Tong Geng (University of Roche
 ster); Anqi Guo, Sahan Bandara, and Pouya Haghi (Boston University); Chuan
  Liu (University of Rochester); Ang Li (Pacific Northwest National Laborat
 ory (PNNL)); and Martin Herbordt (Boston University)\n\nConducting long-ti
 mescale simulations of small molecules using Molecular Dynamics (MD) is cr
 ucial in drug design. However, traditional methods to accelerate the proce
 ss, including ASICs or GPUs, have limitations. ASIC solutions are not alwa
 ys generally available, while GPU solutions may not scale when processing 
 small molecules. FPGAs are both communication processors and accelerators,
  with tight coupling between these capabilities, and so could be used to a
 ddress strong scaling in this domain. \n\nWe present FASDA, the first FPGA
 -based MD accelerator available for community development. FASDA enables t
 he use of FPGA enhanced clusters and clouds to execute range-limited MD, w
 hich is the most resource-intensive and computation-demanding component in
  MD. FASDA is built with a series of plugable components that are adjustab
 le based on user requirements and demonstrates nearly linear scaling on an
  eight FPGA cluster. It outperforms the state-of-the-art GPU solution by 4
 .67x, with the resulting prospect of significantly reducing lead evaluatio
 n time.\n\nTag: Accelerators, Applications, Architecture and Networks, Mod
 eling and Simulation\n\nRegistration Category: Tech Program Reg Pass\n\nRe
 producibility Badges: Artifact Available\n\nSession Chair: Sudip Seal (Oak
  Ridge National Laboratory (ORNL))\n\n
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