high performance computing on graphics processing units: hgpu.org

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

Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores

Gabin Schieffer, Ivy Peng

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Tags: Chemistry, Computer science, CUDA, Macromolecule, molecular docking, nVidia, nVidia A100, nVidia V100, Physics, Tesla T4

October 20, 2024 by hgpu

HPCTransCompile: An AI Compiler Generated Dataset for High-Performance CUDA Transpilation and LLM Preliminary Exploration

chemtrain: Training Molecular Dynamics Potentials in JAX

chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations

microSYCL: SYCL micro-benchmarks repository

Exploring SYCL as a Portability Layer for High-Performance Computing on CPUs

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high performance computing on graphics processing units: hgpu.org

Applications

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

Engineering Supercomputing Platforms for Biomolecular Applications

chemtrain-deploy: A parallel and scalable framework for machine learning potentials in million-atom MD simulations

The Shamrock code: I- Smoothed Particle Hydrodynamics on GPUs

Performant Automatic BLAS Offloading on Unified Memory Architecture with OpenMP First-Touch Style Data Movement

A comparison of HPC-based quantum computing simulators using Quantum Volume

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

Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores

Recent source codes

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

hpcbench: A set of benchmarking utilities for biomolecular simulation tools

HPCTransCompile: An AI Compiler Generated Dataset for High-Performance CUDA Transpilation and LLM Preliminary Exploration

chemtrain: Training Molecular Dynamics Potentials in JAX

microSYCL: SYCL micro-benchmarks repository

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