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FPGA-Accelerated Particle-Grid Mapping

Authors: Ahmed Sanaullah; Arash Khoshparvar; Martin C. Herbordt;

FPGA-Accelerated Particle-Grid Mapping

Abstract

Computing the forces derived from long-range electrostaticsis a critical application and also a central part of MolecularDynamics. Part of that computation, the transformation of a charge grid to a potential grid via a 3D FFT, has received some attentionrecently and has been found to work extremely well on FPGAs. Here we report on the rest of the computation, which consists oftwo mappings: charges onto a grid and a potential grid onto theparticles. These mappings are interesting in their own right as theyare far more compute intensive than the FFTs, each is typicallydone using tricubic interpolation. We believe that these mappingshave been studied only once previously for FPGAs and then foundto be exorbitantly expensive, i.e., only bicubic would fit on the chip. In the current work we find that, when using the Altera Arria 10, not only do both mappings fit, but also an appropriately sized 3DFFT. This enables the building of a balanced accelerator for theentire long-range electrostatics computation on a single FPGA. Thisdesign scales directly to FPGA clusters. Other contributions include a new mapping scheme based on table lookup and a measure of the utility of the floating point support of the Arria-10.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
13
Top 10%
Top 10%
Top 10%
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