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Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs

I. V. Morozov, A. M. Kazennov, R. G. Bystryi, G. E. Norman, V. V. Pisarev, V. V. Stegailov

Tags: Molecular dynamics, nVidia, nVidia GeForce GTX 260, Physics

January 25, 2011 by hgpu

Efficient Parallel Implementation of Molecular Dynamics with Embedded Atom Method on Multi-core Platforms

Changjun Hu, Yali Liu, Jianjiang Li

Tags: Chemistry, Molecular dynamics, Molecular simulation, OpenMP

January 25, 2011 by hgpu

Multi-Level Ewald: A Hybrid Multigrid/Fast Fourier Transform Approach to the Electrostatic Particle-Mesh Problem

David S. Cerutti, David A. Case

Tags: Chemistry, Molecular dynamics, Molecular simulation

January 25, 2011 by hgpu

A Graphics Processing Unit Implementation of Coulomb Interaction in Molecular Dynamics

Prateek K. Jha, Rastko Sknepnek, Guillermo I. Guerrero-Garcia, Monica Olvera de la Cruz

Tags: Chemistry, Molecular dynamics

January 25, 2011 by hgpu

Parallel multiclass classification using SVMs on GPUs

Sergio H. Lopez, John R. Williams, Abel Sanchez

Tags: Computer science, Programming techniques

January 25, 2011 by hgpu

Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3

Tetsu Narumi, Kenji Yasuoka, Makoto Taiji, Francesco Zerbetto, Siegfried Hofinger

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Tags: Biomolecules, Biophysics, Chemistry, Molecular simulation, nVidia, nVidia GeForce GTX 280, Poisson Boltzmann

January 25, 2011 by hgpu

A New Era in Scientific Computing: Domain Decomposition Methods in Hybrid CPU-GPU Architectures

M. Papadrakakis, G. Stavroulakis, A. Karatarakis

Tags: Computational Engineering, Computer science, Finite difference, Finite element method

January 25, 2011 by hgpu

On the Visualization of Social and other Scale-Free Networks

Yuntao Jia, Jared Hoberock, Michael Garland, John C. Hart

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Tags: Algorithms, Computer science, Visualization

January 24, 2011 by hgpu

MLS-based scalar fields over triangle meshes and their application in mesh processing

Jingyi Jin, Michael Garland, Edgar A. Ramos

Tags: 3D Graphics and Realism, Algorithms, Computer science, Triangular meshes

January 24, 2011 by hgpu

CUDASA: Compute Unified Device and Systems Architecture

M. Strengert, C. Muller, C. Dachsbacher, and T. Ertl

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Tags: Computer science, CUDA, GPU cluster, High-level Languages, nVidia, nVidia GeForce 8800 GT, nVidia GeForce 8800 GTX, nVidia Quadro FX 5600

January 24, 2011 by hgpu

Sparse regularization in MRI iterative reconstruction using GPUs

Yue Zhuo, Bradley Sutton, Xiao-Long Wu, Justin Haldar, Wen-mei Hwu, Zhipei Liang

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Tags: CUDA, Image processing, Image reconstruction, MRI, nVidia, nVidia GeForce GTX 280, Sparse matrix

January 24, 2011 by hgpu

Exploiting More Parallelism from Applications Having Generalized Reductions on GPU Architectures

Xiao-Long Wu, Nady Obeid, Wen-Mei Hwu

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Tags: Algorithms, Computer science, CUDA, nVidia, Optimization

January 24, 2011 by hgpu

Harness Engineering for LLM-Driven GPU Kernel Generation

CANNBot Skills

Compiler-Grounded Hierarchical Diagnosis for LLM-Based Triton Kernel Optimization

NVIDIA Object Oriented Agents

NVIDIA-labs OO Agents: Native Python Object-Oriented Agents

UniCoder: Unified Visual-to-Code Generation via Symbolic Rewards and Reference-Guided Code Optimization

CuFuzz: An API-Knowledge-Graph Coverage-Driven Fuzzing Framework for CUDA Libraries

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

Probe-and-Refine Tuning of Repository Guidance for AI Coding Agents

Probe-and-Refine Tuning of Repository Guidance for Coding Agents

See all packages

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high performance computing on graphics processing units: hgpu.org

Applications

Molecular dynamics simulations of the relaxation processes in the condensed matter on GPUs

Efficient Parallel Implementation of Molecular Dynamics with Embedded Atom Method on Multi-core Platforms

Multi-Level Ewald: A Hybrid Multigrid/Fast Fourier Transform Approach to the Electrostatic Particle-Mesh Problem

A Graphics Processing Unit Implementation of Coulomb Interaction in Molecular Dynamics

Parallel multiclass classification using SVMs on GPUs

Fast Calculation of Electrostatic Potentials on the GPU or the ASIC MD-GRAPE-3

A New Era in Scientific Computing: Domain Decomposition Methods in Hybrid CPU-GPU Architectures

On the Visualization of Social and other Scale-Free Networks

MLS-based scalar fields over triangle meshes and their application in mesh processing

CUDASA: Compute Unified Device and Systems Architecture

Sparse regularization in MRI iterative reconstruction using GPUs

Exploiting More Parallelism from Applications Having Generalized Reductions on GPU Architectures

Recent source codes

TensorCorePTX: PTX Tensor Core GEMM Exploration

FlashPDE: Triton-fused PDE stencil kernels for physics-informed neural networks

PortLBM: Portable GPU-accelerated Lattice Boltzmann Method Simulations

Harness Engineering for LLM-Driven GPU Kernel Generation

CANNBot Skills

NVIDIA Object Oriented Agents

UniCoder: Unified Visual-to-Code Generation via Symbolic Rewards and Reference-Guided Code Optimization

CuFuzz: An API-Knowledge-Graph Coverage-Driven Fuzzing Framework for CUDA Libraries

AutoPass: Evidence-Guided LLM Agents for Compiler Performance Tuning

Probe-and-Refine Tuning of Repository Guidance for AI Coding Agents

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