high performance computing on graphics processing units: hgpu.org

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Tight Binding Molecular Dynamics on CPU and GPU clusters

Dimitar Pashov

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Tags: Algorithms, CUDA, Electrostatics, Fortran, GPU cluster, Linear Algebra, Molecular dynamics, MPI, nVidia, Physics, Tesla K20

August 23, 2013 by hgpu

Implementing Molecular Dynamics on Hybrid High Performance Computers – Three-Body Potentials

W. Michael Brown, Masako Yamada

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, nVidia, Package, Physics, Tesla K20

August 20, 2013 by hgpu

A GPU implementation for improved granular simulations with LAMMPS

Emmanuel N. Millan, Christian Ringl, Carlos S. Bederian, Maria Fabiana Piccoli, Carlos Garcia Garino, Herbert M. Urbassek, Eduardo M. Bringa

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Tags: CUDA, Molecular dynamics, nVidia, Performance, Physics, Tesla C2050, Tesla C2075, Tesla M2090

August 18, 2013 by hgpu

Molecular Dynamics Simulation of Multi-Scale Flows on GPUs

S. Mulla, S. Ivekovic, J.M. Reese

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Tags: Biology, Chemistry, CUDA, Molecular dynamics, nVidia, OpenCL, Tesla M2075

August 12, 2013 by hgpu

Hybrid Acceleration of a Molecular Dynamics Simulation Using Short-Ranged Potentials

Julian Hornich

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, nVidia, Tesla M2090, Thesis

July 5, 2013 by hgpu

GPU-Optimized Hybrid Neighbor/Cell List Algorithm for Coarse-Grained Molecular Dynamics Simulations

Andrew J. Proctor

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Tags: Algorithms, Biomolecules, Computer science, Molecular dynamics, nVidia, nVidia GeForce GTX 480, Tesla C2070, Thesis

June 16, 2013 by hgpu

A flexible algorithm for calculating pair interactions on SIMD architectures

Szilard Pall, Berk Hess

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Tags: Algorithms, Computational Physics, CUDA, Molecular dynamics, nVidia, Physics

June 10, 2013 by hgpu

Implementing Continuous Integration Software in an Established Computational Chemistry Software Package

Robin M. Betz, Ross C. Walker

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Tags: Benchmarking, Chemistry, Computational chemistry, CUDA, Molecular dynamics, nVidia, Software Engineering, Tesla M2090

May 21, 2013 by hgpu

Programming for scientific computing on peta-scale heterogeneous parallel systems

Yang Can-qun, Wu Qiang, Tang Tao, Wang Feng, Xue Jing-ling

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Tags: Computer science, CUDA, Heterogeneous systems, Molecular dynamics, nVidia, Tesla M2050

May 13, 2013 by hgpu

GPU-SD and DPD Parallelization for Gromacs tools for molecular dynamics simulations

Nicolae Goga, Siewert Marrink, Ruxandra Cioromela, Florica Moldoveanu

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Tags: Algorithms, Bioinformatics, Biology, Chemistry, CUDA, Molecular dynamics, nVidia, nVidia GeForce 9600 GT

April 21, 2013 by hgpu

Simulation of a flowing snow avalanche using molecular dynamics

Denizhan Gucer, Halil Bulent Ozguc

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Tags: Algorithms, Collision detection, Computer science, CUDA, Molecular dynamics, nVidia, nVidia GeForce 8800 GT, Rendering

March 14, 2013 by hgpu

Large-scale ferrofluid simulations on graphics processing units

A.Yu. Polyakov, T.V. Lyutyy, S. Denisov, V.V. Reva, P. Hanggi

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Tags: CUDA, Fluid simulation, Molecular dynamics, Numerical simulation, nVidia, Physics, Tesla M2050

March 2, 2013 by hgpu

Specx: Speculative task-based runtime system

Specx: a C++ task-based runtime system for heterogeneous distributed architectures

Mutual-Supervised Learning for Sequential-to-Parallel Code Translation

KISim: Kubernetes Intelligent Scheduling Simulator

KIS-S: A GPU-Aware Kubernetes Inference Simulator with RL-Based Auto-Scaling

Hardware Compute Partitioning on NVIDIA GPUs for Composable Systems

Efficient GPU Implementation of Multi-Precision Integer Division

ParEval: A Parallel Code Evaluation Benchmark

ParEval-Repo: A Benchmark Suite for Evaluating LLMs with Repository-level HPC Translation Tasks

FlashSparse: Minimizing Computation Redundancy for Fast Sparse Matrix Multiplications on Tensor Cores

Libra: Synergizing CUDA and Tensor Cores for High-Performance Sparse Matrix Multiplication

exa-AMD: Exascale Accelerated Materials Discovery

Accelerated discovery and design of Fe-Co-Zr magnets with tunable magnetic anisotropy through machine learning and parallel computing

WiLLM: An Open Wireless LLM Communication System

Vcc: the Vulkan Clang Compiler

No More Shading Languages: Compiling C++ to Vulkan Shaders

See all packages

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high performance computing on graphics processing units: hgpu.org

Tight Binding Molecular Dynamics on CPU and GPU clusters

Implementing Molecular Dynamics on Hybrid High Performance Computers – Three-Body Potentials

A GPU implementation for improved granular simulations with LAMMPS

Molecular Dynamics Simulation of Multi-Scale Flows on GPUs

Hybrid Acceleration of a Molecular Dynamics Simulation Using Short-Ranged Potentials

GPU-Optimized Hybrid Neighbor/Cell List Algorithm for Coarse-Grained Molecular Dynamics Simulations

A flexible algorithm for calculating pair interactions on SIMD architectures

Implementing Continuous Integration Software in an Established Computational Chemistry Software Package

Programming for scientific computing on peta-scale heterogeneous parallel systems

GPU-SD and DPD Parallelization for Gromacs tools for molecular dynamics simulations

Simulation of a flowing snow avalanche using molecular dynamics

Large-scale ferrofluid simulations on graphics processing units

Recent source codes

Specx: Speculative task-based runtime system

Mutual-Supervised Learning for Sequential-to-Parallel Code Translation

KISim: Kubernetes Intelligent Scheduling Simulator

Hardware Compute Partitioning on NVIDIA GPUs for Composable Systems

Efficient GPU Implementation of Multi-Precision Integer Division

ParEval: A Parallel Code Evaluation Benchmark

FlashSparse: Minimizing Computation Redundancy for Fast Sparse Matrix Multiplications on Tensor Cores

exa-AMD: Exascale Accelerated Materials Discovery

WiLLM: An Open Wireless LLM Communication System

Vcc: the Vulkan Clang Compiler

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