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Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Szilárd Páll, Artem Zhmurov, Paul Bauer, Mark Abraham, Magnus Lundborg, Alan Gray, Berk Hess, Erik Lindahl

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Tags: Algorithms, AMD Radeon Instinct Mi50, AMD Vega FE, ATI, Chemistry, CUDA, Heterogeneous systems, Molecular dynamics, MPI, nVidia, nVidia GeForce RTX 2080, nVidia Quadro P 6000, OpenCL, Package, Tesla V100

June 21, 2020 by hgpu

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

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

PyOMP: OpenMP for Python in Numba

PyOMP: Parallel programming for CPUs and GPUs with OpenMP and Python

HiRep

Scaling SU(2) to 1000 GPUs using HiRep

GPPerf: Energy-Aware GPU Performance Prediction and Optimization Framework

Understanding GEMM Performance and Energy on NVIDIA Ada Lovelace: A Machine Learning-Based Analytical Approach

gpuPairHMM: Ultra-fast GPU-based PairHMM for DNA Variant Calling

gpuPairHMM: High-speed Pair-HMM Forward Algorithm for DNA Variant Calling on GPUs

Gaia AVU-GSR

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

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

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