high performance computing on graphics processing units: hgpu.org

hgpu.org » Multilevel summation

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

kEDM: A Performance-portable Implementation of Empirical Dynamic Modeling using Kokkos

cuSZ: CUDA-Based Error-Bounded Lossy Compressor for Scientific Data

cuSZ(x): Optimizing Error-Bounded Lossy Compression for Scientific Data on GPUs

TornadoVM

Automatically Exploiting the Memory Hierarchy of GPUs through Just-in-Time Compilation

Floyd-Warshall function of this implementation for Intel Xeon Phi Knights Landing

Comparison of HPC Architectures for Computing All-Pairs Shortest Paths. Intel Xeon Phi KNL vs NVIDIA Pascal

NPBench: A Benchmarking Suite for High-Performance NumPy

PeriPy - A High Performance OpenCL Peridynamics Package

PeriPy – A High Performance OpenCL Peridynamics Package

PoCL: Portable Computing Language

Performance Evaluation and Improvements of the PoCL Open-Source OpenCL Implementation on Intel CPUs

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high performance computing on graphics processing units: hgpu.org

Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Multilevel summation of electrostatic potentials using graphics processing units

Accelerating molecular modeling applications with graphics processors

Recent source codes

Chapel-GPU: GPUIterator and GPUAPI module for Chapel

StreamBrain: a framework for implementing BCPNN networks in Python3

DLIO Benchmark

kEDM: A Performance-portable Implementation of Empirical Dynamic Modeling using Kokkos

cuSZ: CUDA-Based Error-Bounded Lossy Compressor for Scientific Data

TornadoVM

Floyd-Warshall function of this implementation for Intel Xeon Phi Knights Landing

NPBench: A Benchmarking Suite for High-Performance NumPy

PeriPy - A High Performance OpenCL Peridynamics Package

PoCL: Portable Computing Language

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9th International Workshop on OpenCL and SYCL, 2021

The 18th International Conference on High Performance Computing & Simulation (HPCS), 2020

The Fifth International Workshop on GPU Computing and AI (GCA), 2020

2nd International Conference on Frontiers of Intelligent Manufacturing and Automation (CFIMA’21), 2021

International Conference on Cyber Physical Systems and IoT (CPSIOT’20), 2020