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Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Marcos Novalbos, Jaime Gonzalez, Miguel A. Otaduy, Roberto Martinez Benito, Alberto Sanchez

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Tags: Algorithms, Biomolecules, Chemistry, CUDA, Electrostatic potential, Electrostatics, FFT, Molecular dynamics, Multilevel summation, N-body simulation, nVidia, nVidia GeForce GTX 580, nVidia GeForce GTX Titan

September 15, 2014 by hgpu

Multilevel summation of electrostatic potentials using graphics processing units

David J. Hardy, John E. Stone, Klaus Schulten

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Tags: Chemistry, CUDA, Electrostatics, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce GTX 280, Physics, Tesla C870, Tesla D870

November 2, 2010 by hgpu

Accelerating molecular modeling applications with graphics processors

John E. Stone, James C. Phillips, Peter L. Freddolino, David J. Hardy, Leonardo G. Trabuco, Klaus Schulten

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Tags: Chemistry, Computational chemistry, CUDA, Electrostatic potential, Molecular dynamics, Molecular modeling, Multilevel summation, nVidia, nVidia GeForce 8800 GTX

October 30, 2010 by hgpu

HPCToolkit

Measurement and Analysis of GPU-accelerated Applications with HPCToolkit

NVPTX-SPIR-V Translator

Supporting CUDA for an extended RISC-V GPU architecture

Taichi Lattice Boltmann

Data-Oriented Language Implementation of Lattice-Boltzmann Method for Dense and Sparse Geometries

WarpDrive: Extremely Fast End-to-End Deep Multi-Agent Reinforcement Learning on a GPU

WarpDrive: Extremely Fast End-to-End Deep Multi-Agent Reinforcement Learning on a GPU

MLIR: Multi-Level Intermediate Representation

High Performance GPU Code Generation for Matrix-Matrix Multiplication using MLIR: Some Early Results

SeisSol: High Resolution Simulation os Seismic Wave Propagation in Realistic Media with Complex Geomerty

Performance Portability and Evaluation of Heterogeneous Components of SeisSol Targeted to Upcoming Intel HPC GPUs

perf4sight: A toolflow to model CNN training performance on Edge GPUs

perf4sight: A toolflow to model CNN training performance on Edge GPUs

Parament: Parallelized Matrix Exponentiation for Numerical Time evolution

Parallel time integration using Batched BLAS (Basic Linear Algebra Subprograms) routines

ndzip: A High-Throughput Parallel Lossless Compressor for Scientific Data

ndzip-gpu: Efficient Lossless Compression of Scientific Floating-Point Data on GPUs

ScaleHLS Project

ScaleHLS: Scalable High-Level Synthesis through MLIR

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