high performance computing on graphics processing units: hgpu.org

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Fast computation of scattering maps of nanostructures using graphical processing units

Vincent Favre-Nicolin, Johann Coraux, Marie-Ingrid Richard, Hubert Renevier

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Tags: Condensed matter, CUDA, Materials Science, Mesoscale and Nanoscale Physics, nVidia, nVidia GeForce GTX 295, Package, Python

November 1, 2011 by hgpu

Extremely large scale simulation of a Kardar-Parisi-Zhang model using graphics cards

Jefrrey Kelling, Geza Odor

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Tags: Algorithms, Computational Physics, Condensed matter, CUDA, Finite size scaling, nVidia, Physics

November 1, 2011 by hgpu

A near real-time framework for extracting tip-sample forces in dynamic atomic force microscopy (dAFM)

David Busch, Qingze Zou, Baskar Ganapathysubramanian

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Tags: Condensed matter, CUDA, Materials Science, nVidia, nVidia Quadro FX 5800, Physics

September 5, 2011 by hgpu

Massively parallelized replica-exchange simulations of polymers on GPUs

Jonathan Gross, Wolfhard Janke, Michael Bachmann

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Tags: Biomolecules, Computational Physics, Condensed matter, CUDA, Monte Carlo simulation, nVidia, nVidia GeForce GTX 285, nVidia GeForce GTX 480, Physics, Polymer Systems, Tesla C1060

July 19, 2011 by hgpu

Single Chain Slip-Spring Model for Fast Rheology Simulations of Entangled Polymers on GPU

Takashi Uneyama

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Tags: Condensed matter, CUDA, nVidia, Physics, Soft Condensed Matter, Tesla C1060

June 16, 2011 by hgpu

Performance Acceleration of Kernel Polynomial Method Applying Graphics Processing Units

Shixun Zhang, Shinichi Yamagiwa, Masahiko Okumura, Seiji Yunoki

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Tags: Computational Physics, Condensed matter, CUDA, nVidia, Performance, Physics, Tesla C2050

May 30, 2011 by hgpu

Anomalous Structure and Scaling of Ring Polymer Brushes

Daniel Reith, Andrey Milchev, Peter Virnau, Kurt Binder

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Tags: Condensed matter, Materials Science, nVidia, nVidia GeForce GTX 480, Physics, Soft Condensed Matter, Statistical Mechanics

April 29, 2011 by hgpu

Benchmarking GPU and CPU codes for Heisenberg spin glass overrelaxation

M. Bernaschi, G. Parisi, L. Parisi

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Tags: Condensed matter, CUDA, nVidia, nVidia GeForce GTX 480, Package, Physics, Spin Systems, Tesla C1060, Tesla C2050

March 9, 2011 by hgpu

General-purpose molecular dynamics simulations on GPU-based clusters

Christian R. Trott, Lars Winterfeld, Paul S. Crozier

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Tags: Computational Physics, Condensed matter, CUDA, GPU cluster, Materials Science, Molecular dynamics, MPI, nVidia, nVidia GeForce GTX 280, nVidia GeForce GTX 295, Package, Performance, Physics, Tesla C1060, Tesla S1070

March 8, 2011 by hgpu

Fast computing of scattering maps of nanostructures using graphical processing units

Vincent Favre-Nicolin, Johann Coraux, Marie-Ingrid Richard, Hubert Renevier

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Source codes

Tags: Condensed matter, CUDA, Materials Science, Mesoscale and Nanoscale Physics, nVidia, nVidia GeForce GTX 295, Package, Physics, Python

February 11, 2011 by hgpu

High-precision molecular dynamics simulation of UO2-PuO2: superionic transition in uranium dioxide

S.I. Potashnikov, A.S. Boyarchenkov, K.A. Nekrasov, A.Ya. Kupryazhkin

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Tags: Condensed matter, CUDA, Materials Science, Molecular dynamics, nVidia, Physics

February 9, 2011 by hgpu

High-precision molecular dynamics simulation of UO2-PuO2: pair potentials comparison

S.I. Potashnikov, A.S. Boyarchenkov, K.A. Nekrasov, A.Ya. Kupryazhkin

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Tags: Condensed matter, CUDA, Materials Science, Molecular dynamics, nVidia, Physics

February 9, 2011 by hgpu

SIGMo: Scalable Isomorphism Graph Matching on GPUs

SIGMo: High-Throughput Batched Subgraph Isomorphism on GPUs for Molecular Matching

DGEMM without FP64 Arithmetic - using FP64 Emulation and FP8 Tensor Cores with Ozaki Scheme

DGEMM without FP64 Arithmetic – using FP64 Emulation and FP8 Tensor Cores with Ozaki Scheme

GEAK-agent: LLM-based AI agent, which can write correct and efficient GPU kernels automatically

Geak: Introducing Triton Kernel AI Agent & Evaluation Benchmarks

OpenDwarfs 2025: re-engineered version of the OpenDwarfs benchmark suite, for compatibility with modern platforms

OpenDwarfs 2025: Modernizing the OpenDwarfs Benchmark Suite for Heterogeneous Computing

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

Hardware Compute Partitioning on NVIDIA GPUs for Composable Systems

KISim: Kubernetes Intelligent Scheduling Simulator

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

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

See all packages

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high performance computing on graphics processing units: hgpu.org

Fast computation of scattering maps of nanostructures using graphical processing units

Extremely large scale simulation of a Kardar-Parisi-Zhang model using graphics cards

A near real-time framework for extracting tip-sample forces in dynamic atomic force microscopy (dAFM)

Massively parallelized replica-exchange simulations of polymers on GPUs

Single Chain Slip-Spring Model for Fast Rheology Simulations of Entangled Polymers on GPU

Performance Acceleration of Kernel Polynomial Method Applying Graphics Processing Units

Anomalous Structure and Scaling of Ring Polymer Brushes

Benchmarking GPU and CPU codes for Heisenberg spin glass overrelaxation

General-purpose molecular dynamics simulations on GPU-based clusters

Fast computing of scattering maps of nanostructures using graphical processing units

High-precision molecular dynamics simulation of UO2-PuO2: superionic transition in uranium dioxide

High-precision molecular dynamics simulation of UO2-PuO2: pair potentials comparison

Recent source codes

SIGMo: Scalable Isomorphism Graph Matching on GPUs

DGEMM without FP64 Arithmetic - using FP64 Emulation and FP8 Tensor Cores with Ozaki Scheme

GEAK-agent: LLM-based AI agent, which can write correct and efficient GPU kernels automatically

OpenDwarfs 2025: re-engineered version of the OpenDwarfs benchmark suite, for compatibility with modern platforms

Specx: Speculative task-based runtime system

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

Hardware Compute Partitioning on NVIDIA GPUs for Composable Systems

KISim: Kubernetes Intelligent Scheduling Simulator

Efficient GPU Implementation of Multi-Precision Integer Division

ParEval: A Parallel Code Evaluation Benchmark

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