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The Shamrock code: I- Smoothed Particle Hydrodynamics on GPUs

Timothée David--Cléris, Guillaume Laibe, Yona Lapeyre

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Tags: AMD, AMD Radeon Instinct MI250X, Astrophysics, CUDA, MPI, nVidia, nVidia A100, OpenMP, Package, Physics, PTX, ROCm, SYCL

March 23, 2025 by hgpu

Asynchronous-Many-Task Systems: Challenges and Opportunities – Scaling an AMR Astrophysics Code on Exascale machines using Kokkos and HPX

Gregor Daiß, Patrick Diehl, Jiakun Yan, John K. Holmen, Rahulkumar Gayatri, Christoph Junghans, Alexander Straub, Jeff R. Hammond, Dominic Marcello, Miwako Tsuji, Dirk Pflüger, Hartmut Kaiser

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Tags: AMD Radeon Instinct MI100, AMD Radeon Instinct MI250X, Astrophysics, ATI, Computer science, CUDA, Heterogeneous systems, HIP, HPC, nVidia, nVidia A100, Package, performance portability, Physics

December 29, 2024 by hgpu

TorchQC – A framework for efficiently integrating machine and deep learning methods in quantum dynamics and control

Dimitris Koutromanos, Dionisis Stefanatos, Emmanuel Paspalakis

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Tags: Deep learning, Machine learning, Package, Physics, Python, PyTorch, Quantum Physics

December 29, 2024 by hgpu

CLUEstering: a high-performance density-based clustering library for scientific computing

Simone Balducci

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Tags: Astrophysics, ATI, Clustering, CUDA, FPGA, HIP, Machine learning, nVidia, Package, performance portability, Physics, Python, Tesla T4, Thesis

December 1, 2024 by hgpu

Scaling SU(2) to 1000 GPUs using HiRep

Sofie Martins, Erik Kjellgren, Emiliano Molinaro, Claudio Pica, Antonio Rago

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Tags: AMD Radeon Instinct MI250X, ATI, CUDA, HEP, High Energy Physics - Lattice, HIP, Monte Carlo simulation, nVidia, nVidia H100, Package, Physics

December 1, 2024 by hgpu

Performance portability via C++ PSTL, SYCL, OpenMP, and HIP: the Gaia AVU-GSR case study

Giulio Malenza, Valentina Cesare, Marco Edoardo Santimaria, Robert Birke, Alberto Vecchiato, Ugo Becciani, Marco Aldinucci

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Tags: AMD Radeon Instinct MI250X, Astrophysics, ATI, Computer science, CUDA, HIP, HPC, nVidia, nVidia A100, nVidia H100, nVidia V100, OpenMP, Package, Performance, performance portability, SYCL, Tesla T4

November 24, 2024 by hgpu

Effects of OpenCL-Based Parallelization Methods on Explicit Numerical Methods to Solve the Heat Equation

Dániel Koics, Endre Kovács 2, Olivér Hornyák

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Tags: nVidia, OpenCL, Package, PDEs, Performance, Physics

October 13, 2024 by hgpu

RBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit

Weihang Gao, Teng Zhao, Yongfa Guo, Jiuyang Liang, Huan Liu, Maoying Luo, Zedong Luo, Wei Qin, Yichao Wang, Qi Zhou, Shi Jin, Zhenli Xu

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Tags: Computational Physics, CUDA, Heterogeneous systems, Molecular dynamics, nVidia, nVidia GeForce RTX 4090, Package, Physics, Tesla A100, Tesla V100

July 28, 2024 by hgpu

Gaining Cross-Platform Parallelism for HAL’s Molecular Dynamics Package using SYCL

Viktor Skoblin, Felix Höfling, Steffen Christgau

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Tags: AMD Radeon Instinct MI210, ATI, Computer science, CUDA, Molecular dynamics, nVidia, nVidia A100, nVidia A40, Package, Physics, SYCL

June 9, 2024 by hgpu

QArray: a GPU-accelerated constant capacitance model simulator for large quantum dot arrays

Barnaby van Straaten, Joseph Hickie, Lucas Schorling, Jonas Schuff, Federico Fedele, Natalia Ares

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Tags: Condensed matter, Machine learning, Mesoscale and Nanoscale Physics, nVidia, nVidia GeForce GTX 1080 Ti, Package, Physics, Python, Rust

April 14, 2024 by hgpu

Distributed OpenMP Offloading of OpenMC on Intel GPU MAX Accelerators

Yehonatan Fridman, Guy Tamir, Uri Steinitz, Gal Oren

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Tags: Benchmarking, Intel, Intel Ponte Vecchio Max 1100, Monte Carlo simulation, OpenMP, Package, Physics

March 10, 2024 by hgpu

Hybrid quantum programming with PennyLane Lightning on HPC platforms

Ali Asadi, Amintor Dusko, Chae-Yeun Park, Vincent Michaud-Rioux, Isidor Schoch, Shuli Shu, Trevor Vincent, Lee James O'Riordan

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Tags: AMD Radeon Instinct MI250X, ATI, HPC, nVidia, nVidia A100, OpenMP, Package, Physics, Quantum Physics

March 10, 2024 by hgpu

high performance computing on graphics processing units: hgpu.org

Packages

The Shamrock code: I- Smoothed Particle Hydrodynamics on GPUs

Asynchronous-Many-Task Systems: Challenges and Opportunities – Scaling an AMR Astrophysics Code on Exascale machines using Kokkos and HPX

TorchQC – A framework for efficiently integrating machine and deep learning methods in quantum dynamics and control

CLUEstering: a high-performance density-based clustering library for scientific computing

Scaling SU(2) to 1000 GPUs using HiRep

Performance portability via C++ PSTL, SYCL, OpenMP, and HIP: the Gaia AVU-GSR case study

Effects of OpenCL-Based Parallelization Methods on Explicit Numerical Methods to Solve the Heat Equation

RBMD: A molecular dynamics package enabling to simulate 10 million all-atom particles in a single graphics processing unit

Gaining Cross-Platform Parallelism for HAL’s Molecular Dynamics Package using SYCL

QArray: a GPU-accelerated constant capacitance model simulator for large quantum dot arrays

Distributed OpenMP Offloading of OpenMC on Intel GPU MAX Accelerators

Hybrid quantum programming with PennyLane Lightning on HPC platforms

Recent source codes

Coccinelle: a C code transformation engine using SmPL for matches, refactorings, and bug fixing

DuoReduce: MLIR's benchmark

Shamrock: Multi-GPU hydrodynamics for astrophysics

LLMPerf: GPU Performance Modeling meets Large Language Models

Hercules: A Compiler for Productive Programming of Heterogeneous Systems

Celerity Runtime: High-level C++ for Accelerator Clusters

wgpy: WebGL accelerated numpy-compatible array library for web browser

Microbenchmarking OpenMP target offload with Catch2

SUperman: Highly Efficient Permanent Computation Library

TransCL: An Automatic CUDA-to-OpenCL Programs Transformation Framework

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