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JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python

Samuel S. Schoenholz, Ekin D. Cubuk

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Tags: Biochemistry, Chemistry, Computational Physics, CUDA, Fortran, Machine learning, Materials Science, Molecular dynamics, Neural networks, nVidia, Package, Physics, Python

December 15, 2019 by hgpu

Accelerating Stochastic Simulations on GPUs Using OpenCL

Pilsung Kang

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Tags: Heterogeneous systems, nVidia, nVidia GeForce GTX 1080 Ti, OpenCL, Physics, Stochastic simulation

November 10, 2019 by hgpu

waLBerla: A block-structured high-performance framework for multiphysics simulations

Martin Bauer, Sebastian Eibl, Christian Godenschwager, Nils Kohl, Michael Kuron, Christoph Rettinger, Florian Schornbaum, Christoph Schwarzmeier, Dominik Thönnes, Harald Köstler, Ulrich Rüde

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Tags: Code generation, CUDA, Heterogeneous systems, Lattice Boltzmann model, MPI, nVidia, Package, Particle simulation, performance portability, Physics, Tesla P100

October 6, 2019 by hgpu

Efficient Simulation of Fluid Flow and Transport in Heterogeneous Media Using Graphics Processing Units (GPUs)

Hassan Dashtian, Muhammad Sahimi

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Tags: Computational Physics, CUDA, Heterogeneous systems, nVidia, nVidia GeForce GTX 880, Physics

August 18, 2019 by hgpu

PANNA: Properties from Artificial Neural Network Architectures

Ruggero Lot, Franco Pellegrini, Yusuf Shaidu, Emine Kucukbenli

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Tags: Deep learning, Machine learning, Molecular dynamics, Neural networks, Package, Physics, TensorFlow

July 10, 2019 by hgpu

PIConGPU: Predictive Simulations of Laser-Particle Accelerators with Manycore Hardware

Axel Hübl

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Tags: CUDA, HPC, nVidia, Package, Particle-in-cell methods, Physics, Tesla P100, Thesis

July 4, 2019 by hgpu

Classify QCD phase transition with deep learning

Long-Gang Pang, Kai Zhou, Nan Su, Hannah Petersen, Horst Stoecker, Xin-Nian Wang

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Tags: Deep learning, HEP, Machine learning, Neural networks, OpenCL, Package, Pattern recognition, Phase transition, Physics, QCD

June 2, 2019 by hgpu

FPGA-based acceleration of a particle simulation High Performance Computing application

Aldo Conte

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Tags: FPGA, Molecular dynamics, OpenCL, Particle simulation, Physics, Thesis

May 8, 2019 by hgpu

TensorNetwork: A Library for Physics and Machine Learning

Chase Roberts, Ashley Milsted, Martin Ganahl, Adam Zalcman, Bruce Fontaine, Yijian Zou, Jack Hidary, Guifre Vidal, Stefan Leichenauer

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Tags: Machine learning, Package, Physics, TensorFlow

May 8, 2019 by hgpu

OpenCL vs: Accelerated Finite-Difference Digital Synthesis

Harri Renney, Benedict R. Gaster, Tom Mitchell

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Tags: AMD Radeon 530, ATI, FDTD, Finite-difference time-domain, OpenCL, OpenGL, Package, Physics

April 14, 2019 by hgpu

High Performance Monte Carlo Simulation of Ising Model on TPU Clusters

Kun Yang, Yi-Fan Chen, Georgios Roumpos, Chris Colby, John Anderson

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Tags: Cloud, CUDA, Ising model, Machine learning, Monte Carlo simulation, Neural networks, nVidia, Package, Physics, Tesla V100, TPU

April 7, 2019 by hgpu

Using Compiler Directives for Performance Portability in Scientific Computing: Kernels from Molecular Simulation

Ada Sedova, Andreas Tillack, Arnold Tharrington

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Tags: Chemistry, Molecular dynamics, Molecular simulation, nVidia, OpenACC, performance portability, Physics, Tesla K20

March 3, 2019 by hgpu

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

EnergyUCB-Bandit

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

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high performance computing on graphics processing units: hgpu.org

JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python

Accelerating Stochastic Simulations on GPUs Using OpenCL

waLBerla: A block-structured high-performance framework for multiphysics simulations

Efficient Simulation of Fluid Flow and Transport in Heterogeneous Media Using Graphics Processing Units (GPUs)

PANNA: Properties from Artificial Neural Network Architectures

PIConGPU: Predictive Simulations of Laser-Particle Accelerators with Manycore Hardware

Classify QCD phase transition with deep learning

FPGA-based acceleration of a particle simulation High Performance Computing application

TensorNetwork: A Library for Physics and Machine Learning

OpenCL vs: Accelerated Finite-Difference Digital Synthesis

Using Compiler Directives for Performance Portability in Scientific Computing: Kernels from Molecular Simulation

Recent source codes

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LLaMA-Inference-Bench

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Over-synchronization in GPU Programs

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

MaC: Mamba CPU performance predictor

Mixed-precision finite element kernels

SHMT: The Simultaneous and Heterogenous Multithreading project

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

EnergyUCB-Bandit

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