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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

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Rodinia Benchmarks for DPC++

Evaluation of Intel’s DPC++ Compatibility Tool in heterogeneous computing

DCA++: a state of the art implementation of the dynamical cluster approximation

Optimizing the Performance of Parallel and Concurrent Applications Based on Asynchronous Many-Task Runtimes

tntorch - Tensor Network Learning with PyTorch

tntorch: Tensor Network Learning with PyTorch

Open-source FPGA-ML codesign for the MLPerf Tiny Benchmark

Open-source FPGA-ML codesign for the MLPerf Tiny Benchmark

MapReduce for Counting Word Frequencies with MPI and GPUs

MapReduce for Counting Word Frequencies with MPI and GPUs

CoDL: Efficient CPU-GPU Co-execution for Deep Learning Inference on Mobile Devices

CoDL: Efficient CPU-GPU Co-execution for Deep Learning Inference on Mobile Devices

SYCLCOMP Utilities

On the Compilation Performance of Current SYCL Implementations

M1 GPUs for (scientific) computations in C++

Seamless GPU acceleration for C++ based physics with the Metal Shading Language on Apple’s M series unified chips

CUB: Cooperative primitives for CUDA C++

Onesweep: A Faster Least Significant Digit Radix Sort for GPUs

Simulator and workload generator for Edge-to-Cloud environments

FELARE: Fair Scheduling of Machine Learning Applications on Heterogeneous Edge Systems

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