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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

GPU Parallelization of Astronomical Image Subtraction

Gustav Arneving, Hugo Wilhelmsson

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Tags: Astrophysics, nVidia, nVidia GeForce GTX 1050, OpenCL, OpenMP, Physics, Thesis

June 23, 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

Automatic BLAS Offloading on Unified Memory Architecture: A Study on NVIDIA Grace-Hopper

Junjie Li, Yinzhi Wang, Xiao Liang, Hang Liu

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Tags: BLAS, Chemistry, CUDA, nVidia, nVidia GH200, nVidia H100, Performance, Physics

May 5, 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

Evaluating the Wide Area Classroom After 24,000 HPC Students

John Urbanic, Thomas Maiden, Valerie Rossi

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Tags: Education, HPC, Machine learning, MPI, OpenACC, OpenMP, Physics

February 12, 2024 by hgpu

Lessons Learned Migrating CUDA to SYCL: A HEP Case Study with ROOT RDataFrame

Jolly Chen, Monica Dessole, Ana Lucia Varbanescu

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Tags: CUDA, HEP, nVidia, nVidia Quadro RTX 4000, OpenCL, Package, Performance, Physics, SYCL

January 28, 2024 by hgpu

Application of performance portability solutions for GPUs and many-core CPUs to track reconstruction kernels

Ka Hei Martin Kwok, Matti Kortelainen, Giuseppe Cerati, Alexei Strelchenko, Oliver Gutsche, Allison Reinsvold Hall, Steve Lantz, Michael Reid, Daniel Riley, Sophie Berkman, Seyong Lee, Hammad Ather, Boyana Norris, Cong Wang

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Tags: AMD Radeon Instinct MI100, ATI, HEP, Intel, Intel Arc A770, nVidia, nVidia A100, nVidia V100, OpenMP, performance portability, Physics, SYCL

January 28, 2024 by hgpu

Kokkidio: Kokkos+Eigen - write fast, readable multi-platform code

Kokkidio: Fast, expressive, portable code, based on Kokkos and Eigen

LLaMA-Inference-Bench

LLM-Inference-Bench: Inference Benchmarking of Large Language Models on AI Accelerators

MATAR

On a Simplified Approach to Achieve Parallel Performance and Portability Across CPU and GPU Architectures

Over-synchronization in GPU Programs

Over-synchronization in GPU Programs

profile_util: simple C++ library to report memory, timing, thread affinity

Profile Util library: A quick and easy way to get MPI, OpenMP and GPU runtime information

MaC: Mamba CPU performance predictor

MambaCPU: Enhanced Correlation Mining with State Space Models for CPU Performance Prediction

Mixed-precision finite element kernels

Mixed-precision finite element kernels and assembly: Rounding error analysis and hardware acceleration

SHMT: The Simultaneous and Heterogenous Multithreading project

General-Purpose Computing on Tensor Processors

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

EnergyUCB-Bandit

Online Energy Optimization in GPUs: A Multi-Armed Bandit Approach

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