high performance computing on graphics processing units: hgpu.org

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hgpu.org » Applications » Physics

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

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

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

RoadRunner: a fast and flexible exoplanet transit model

Hannu Parviainen

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Tags: Astrophysics, Earth and Planetary Astrophysics, Heterogeneous systems, Instrumentation and Methods for Astrophysics, OpenCL, Package, Python

September 27, 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

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

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

Accelerating Molecular Docking by Parallelized Heterogeneous Computing – A Case Study of Performance, Quality of Results, and Energy-Efficiency using CPUs, GPUs, and FPGAs

Leonardo Solis Vasquez

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Tags: AMD Radeon RX Vega 56, ATI, Computer science, FPGA, Heterogeneous systems, Macromolecule, nVidia, OpenCL, Package, Physics, Tesla V100, Thesis

December 29, 2019 by hgpu

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

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

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high performance computing on graphics processing units: hgpu.org

Packages

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

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

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

RoadRunner: a fast and flexible exoplanet transit model

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

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

Inline Vector Compression for Computational Physics

Accelerating Molecular Docking by Parallelized Heterogeneous Computing – A Case Study of Performance, Quality of Results, and Energy-Efficiency using CPUs, GPUs, and FPGAs

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

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

Recent source codes

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