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

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

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

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

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high performance computing on graphics processing units: hgpu.org

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

Accelerating Drug Discovery in AutoDock-GPU with Tensor Cores

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

Recent source codes

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

XaaS containers

CASS: Cuda-Amd aSSembly

Cluser of smartphones for edge computing application using TensorFlow

SYCL Container

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