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Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

Diogo Santos-Martins, Leonardo Solis-Vasquez, Andreas Koch, and Stefano Forli

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Tags: Algorithms, Chemistry, Macromolecule, molecular docking, OpenCL, Package, Physics

February 28, 2021 by hgpu

Highly Efficient Lattice-Boltzmann Multiphase Simulations of Immiscible Fluids at High-Density Ratios on CPUs and GPUs through Code Generation

Markus Holzer, Martin Bauer, Harald Kostler, Ulrich Rüde

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Tags: Algorithms, cfd, Code generation, CUDA, Fluid dynamics, Lattice Boltzmann model, MPI, nVidia, OpenCL, Package, Physics, Programming techniques, Tesla P100, Tesla V100

December 20, 2020 by hgpu

NVIDIA SimNet: an AI-accelerated multi-physics simulation framework

Oliver Hennigh, Susheela Narasimhan, Mohammad Amin Nabian, Akshay Subramaniam, Kaustubh Tangsali, Max Rietmann, Jose del Aguila Ferrandis, Wonmin Byeon, Zhiwei Fang, Sanjay Choudhry

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Tags: cfd, CUDA, Fluid dynamics, Linear Algebra, Machine learning, Neural networks, nVidia, nVidia A100, Partial differential equations, PDEs, Physics, Tesla V100, Video

December 20, 2020 by hgpu

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

Olivier Adjoua, Louis Lagardère, Luc-Henri Jolly, Arnaud Durocher, Thibaut Very, Isabelle Dupays, Zhi Wang, Théo Jaffrelot Inizan, Frédéric Célerse, Pengyu Ren, Jay W. Ponder, Jean-Philip Piquemal

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Tags: Biophysics, Computational Physics, CUDA, Molecular dynamics, nVidia, nVidia DGX-A100, OpenACC, Package, Physics, Tesla V100

November 8, 2020 by hgpu

Cross-platform programming model for many-core lattice Boltzmann simulations

Jonas Latt, Christophe Coreixas, Joël Beny

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Tags: Algorithms, cfd, Computational Physics, CUDA, Fluid dynamics, Heterogeneous systems, Lattice Boltzmann model, nVidia, nVidia GeForce GTX 1080, nVidia GeForce RTX 2080, Physics

October 25, 2020 by hgpu

FlowPM: Distributed TensorFlow Implementation of the FastPM Cosmological N-body Solver

Chirag Modi, Francois Lanusse, Uros Seljak

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Tags: Astrophysics, Cosmology, CUDA, N-body simulation, nVidia, Package, Physics, TensorFlow, Tesla V100

October 25, 2020 by hgpu

GPU coprocessors as a service for deep learning inference in high energy physics

Jeffrey Krupa, Kelvin Lin, Maria Acosta Flechas, Jack Dinsmore, Javier Duarte, Philip Harris, Scott Hauck, Burt Holzman, Shih-Chieh Hsu, Thomas Klijnsma, Mia Liu, Kevin Pedro, Natchanon Suaysom, Matt Trahms, Nhan Tran

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Tags: Deep learning, FPGA, HEP, nVidia, Package, Physics, Tesla T4, Tesla V100

July 26, 2020 by hgpu

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning

Weile Jia, Han Wang, Mohan Chen, Denghui Lu, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Linfeng Zhang

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Tags: Computational Physics, CUDA, HPC, Machine learning, Mixed precision, Molecular dynamics, Molecular simulation, MPI, nVidia, OpenMP, Physics, Tesla V100

May 10, 2020 by hgpu

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy

Denghui Lu, Han Wang, Mohan Chen, Jiduan Liu, Lin Lin, Roberto Car, Weinan E, Weile Jia, Linfeng Zhang

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Tags: Computational Physics, CUDA, Heterogeneous systems, Molecular dynamics, Neural networks, nVidia, Package, Physics, Python, Tesla V100

May 3, 2020 by hgpu

Understanding GPU-Based Lossy Compression for Extreme-Scale Cosmological Simulations

Sian Jin, Pascal Grosset, Christopher M. Biwer, Jesus Pulido, Jiannan Tian, Dingwen Tao, James Ahrens

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Tags: Astrophysics, Compression, Computational Physics, Cosmology, CUDA, Instrumentation and Methods for Astrophysics, nVidia, nVidia GeForce GTX 1080 Ti, nVidia GeForce GTX Titan V, nVidia GeForce RTX 2080 Ti, nVidia Quadro P 6000, Package, Physics, Tesla K80, Tesla P100, Tesla V100

April 5, 2020 by hgpu

Performance and energy footprint assessment of FPGAs and GPUs on HPC systems using Astrophysics application

David Goz, Georgios Ieronymakis, Vassilis Papaefstathiou, Nikolaos Dimou, Sara Bertocco, Giuliano Taffoni, Francesco Simula, Antonio Ragagnin, Luca Tornatore, Igor Coretti

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Tags: ARM, Astrophysics, CUDA, FPGA, Heterogeneous systems, HPC, HSL, N-body simulation, nVidia, OpenCL, Performance, Physics, SoC, Tesla V100

March 15, 2020 by hgpu

Inline Vector Compression for Computational Physics

Will Trojak, Freddie Witherden

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Tags: Compression, Computational Physics, Computer science, CUDA, nVidia, nVidia GeForce GTX Titan V, Package, Physics, Tesla V100

March 8, 2020 by hgpu

2021

April

27-29

Munich, Germany

9th International Workshop on OpenCL and SYCL, 2021

2020

December

10-14

Virtually in Barcelona, Spain

The 18th International Conference on High Performance Computing & Simulation (HPCS), 2020

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

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high performance computing on graphics processing units: hgpu.org

Accelerating AutoDock4 with GPUs and Gradient-Based Local Search

Highly Efficient Lattice-Boltzmann Multiphase Simulations of Immiscible Fluids at High-Density Ratios on CPUs and GPUs through Code Generation

NVIDIA SimNet: an AI-accelerated multi-physics simulation framework

Tinker-HP: Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems

Cross-platform programming model for many-core lattice Boltzmann simulations

FlowPM: Distributed TensorFlow Implementation of the FastPM Cosmological N-body Solver

GPU coprocessors as a service for deep learning inference in high energy physics

Pushing the limit of molecular dynamics with ab initio accuracy to 100 million atoms with machine learning

86 PFLOPS Deep Potential Molecular Dynamics simulation of 100 million atoms with ab initio accuracy

Understanding GPU-Based Lossy Compression for Extreme-Scale Cosmological Simulations

Performance and energy footprint assessment of FPGAs and GPUs on HPC systems using Astrophysics application

Inline Vector Compression for Computational Physics

Recent source codes

AutoDock-GPU: AutoDock for GPUs and other accelerators

BASEMENT - Basic Simulation Environment

Charm++: a message-passing parallel language and runtime system

KTT - Kernel Tuning Toolkit

UPC++: a PGAS library for C++

cuFINUFFT: a load-balanced GPU library for general-purpose nonuniform FFTs

KTT - Kernel Tuning Toolkit

HSA-on-FPGA

SYCL for Vitis 2020.1: experimental melting pot with Intel oneAPI DPC++ SYCL and triSYCL for Xilinx FPGA

AutoFreeze: Automatically Freezing Model Blocks to Accelerate Fine-tuning

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Featured events

9th International Workshop on OpenCL and SYCL, 2021

The 18th International Conference on High Performance Computing & Simulation (HPCS), 2020

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

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

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