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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

Ginkgo: a high-performance linear algebra library for manycore systems

Preparing Ginkgo for AMD GPUs – A Testimonial on Porting CUDA Code to HIP

GROMACS with CUDA-aware MPI direct GPU communication support

Heterogeneous Parallelization and Acceleration of Molecular Dynamics Simulations in GROMACS

Rodinia_SYCL: The Rodinia Benchmark Suite in SYCL

The Rodinia Benchmark Suite in SYCL

Neural Architecture Search Without Training

Neural Architecture Search without Training

OpenABLext: An extension to OpenABL, a framework to generate high- performance code for agent-based simulations

OpenABLext: An automatic code generation framework for agent-based simulations on CPU-GPU-FPGA heterogeneous platforms

SOFF: SNU OpenCL Framework for FPGAs

SOFF: An OpenCL High-Level Synthesis Framework for FPGAs

GCOOSpDM: Sparse-dense matrix-matrix multiplication on GPUs

Efficient Sparse-Dense Matrix-Matrix Multiplication on GPUs Using the Customized Sparse Storage Format

Programming Your GPU with OpenMP: A Hands-On Introduction

Evaluating the performance of HPC-style SYCL applications

sycl-bench: SYCL Benchmark Suite

SYCL-Bench: A Versatile Single-Source Benchmark Suite for Heterogeneous Computing

BlaBla: A Python package for clinical linguistic feature extraction in multiple languages

BlaBla: Linguistic Feature Extraction for Clinical Analysis in Multiple Languages

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2020

November

24-27

Naha, Okinawa, Japan

The Fifth International Workshop on GPU Computing and AI (GCA), 2020

2021

January

13-15

Shenzhen, China

2nd International Conference on Frontiers of Intelligent Manufacturing and Automation (CFIMA’21), 2021

2020

December

14-16

Bangkok, Thailand

International Conference on Cyber Physical Systems and IoT (CPSIOT’20), 2020

2020

December

14-16

Bangkok, Thailand

International Conference on Wireless Networks and Embedded Systems (ICWNES’20), 2020

2020

December

14-16

Bangkok, Thailand

International Joint Conference on Signals, Systems and Computers (CSSC’20), 2020

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