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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

A Case Study in Using OpenCL on FPGAs: Creating an Open-Source Accelerator of the AutoDock Molecular Docking Software

Leonardo Solis-Vasquez, Andreas Koch

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Tags: Chemistry, FPGA, Molecular dynamics, OpenCL, Package

August 11, 2018 by hgpu

Chebyshev Filter Diagonalization on Modern Manycore Processors and GPGPUs

Moritz Kreutzer, Georg Hager, Dominik Ernst, Holger Fehske, Alan R. Bishop, Gerhard Wellein

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Tags: Chemistry, Computational Physics, Computer science, CUDA, Intel Xeon Phi, nVidia, OpenMP, Package, Performance, Physics, Quantum Physics, Tesla P100

March 10, 2018 by hgpu

GAMER-2: a GPU-accelerated adaptive mesh refinement code — accuracy, performance, and scalability

Hsi-Yu Schive, John A. ZuHone, Nathan J. Goldbaum, Matthew J. Turk, Massimo Gaspari, Chin-Yu Cheng

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Tags: ARM, Astrophysics, Chemistry, CUDA, Instrumentation and Methods for Astrophysics, Magnetohydrodynamics, MPI, nVidia, OpenMP, Package, Tesla K20, Tesla P100

December 24, 2017 by hgpu

Molecular dynamics recipes for genome research

Tommaso Biagini, Giovanni Chillemi, Gianluigi Mazzoccoli, Alessandro Grottesi, Caterina Fusilli, Daniele Capocefalo, Stefano Castellana, Angelo Luigi Vescovi, Tommaso Mazza

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Tags: Benchmarking, Bioinformatics, Biology, Chemistry, CUDA, Genomics, Molecular dynamics, nVidia, OpenCL, Physics, Tesla C2070

December 19, 2017 by hgpu

Dynamic Parallelism in GPU Optimized Barnes Hut Trees for Molecular Dynamics Simulations

Melisa Carranza Zuniga

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Tags: Algorithms, Biology, Biomolecules, Biophysics, Chemistry, CUDA, Molecular dynamics, nVidia, nVidia GeForce GTX 480, Physics, Thesis

August 26, 2017 by hgpu

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor

Vladimir Mironov, Yuri Alexeev, Kristopher Keipert, Michael D'mello, Alexander Moskovsky, Mark S. Gordon

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Tags: Algorithms, Benchmarking, Chemistry, Computer science, Intel Xeon Phi, MPI, OpenMP, Physics

August 8, 2017 by hgpu

OpenCL-Based Implementation of an FPGA Accelerator for Molecular Dynamics Simulation

Hasitha Muthumala Waidyasooriya, Masanori Hariyama, Kota Kasahara

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Tags: Chemistry, FPGA, Heterogeneous systems, Molecular dynamics, OpenCL

July 5, 2017 by hgpu

MEDINA: MECCA Development in Accelerators – KPP Fortran to CUDA source-to-source Preprocessor

Michail Alvanos, Theodoros Christoudias

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Tags: Chemistry, Compilers, Computer science, CUDA, Fortran, nVidia, Package, Python

May 22, 2017 by hgpu

GPU accelerated atmospheric chemical kinetics in the ECHAM/MESSy (EMAC) Earth system model

Michail Alvanos, Theodoros Christoudias

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Tags: Chemistry, Code generation, CUDA, Earth and Space Sciences, Fortran, nVidia, Package, Tesla M2070

May 2, 2017 by hgpu

A Domain Specific Language for Performance Portable Molecular Dynamics Algorithms

William R. Saunders, James Grant, Eike H. Muller

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Tags: Algorithms, Biology, Chemistry, Code generation, Computer science, CUDA, Differential equations, DSL, Molecular dynamics, nVidia, Package, Partial differential equations, PDEs, Physics, Python, Tesla K20

April 15, 2017 by hgpu

Exploiting Multi-level Parallelism on a Many-core System for the Application of Hyperheuristics to a Molecular Docking Problem

Jose M. Cecilia, Jose-Matias, Cutillas-Lozano, Domingo Gimenez, Baldomero Imbernon

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Tags: Bioinformatics, Biology, Chemistry, Intel Xeon Phi, Metaheuristics, molecular docking

March 20, 2017 by hgpu

Mass_Flow_Estimation: Semi-supervised implementation of a DNN for mass prediction from sparsely labeled images

Mass Estimation from Images using Deep Neural Network and Sparse Ground Truth

KNN: k-Nearest Neighbours algorithm

High Performance Computing via High Level Synthesis

SODECL: library of ordinary differential equation (ODE) and stochastic differential equation (SDE) solvers in OpenCL

SODECL: An Open Source Library for Calculating Multiple Orbits of a System of Stochastic Differential Equations in Parallel

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7th International Workshop on OpenCL, 2019

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Boston, MA, USA

Distributed Heterogeneous Programming in C/C++ (DHPCC++), 2019

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Larnaca, Cyprus

3rd International Workshop on Theoretical Approaches to Performance Evaluation, Modeling and Simulation (TAPEMS), 2019

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26-28

Rome, Italy

International Conference on Frontiers of Neural Networks (ICFNN), 2019

2019

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26-28

Rome, Italy

International Conference on Frontiers of Artificial Intelligence and Machine Learning (FAIML), 2019

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high performance computing on graphics processing units: hgpu.org

Applications

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

A Case Study in Using OpenCL on FPGAs: Creating an Open-Source Accelerator of the AutoDock Molecular Docking Software

Chebyshev Filter Diagonalization on Modern Manycore Processors and GPGPUs

GAMER-2: a GPU-accelerated adaptive mesh refinement code — accuracy, performance, and scalability

Molecular dynamics recipes for genome research

Dynamic Parallelism in GPU Optimized Barnes Hut Trees for Molecular Dynamics Simulations

An efficient MPI/OpenMP parallelization of the Hartree-Fock method for the second generation of Intel Xeon Phi processor

OpenCL-Based Implementation of an FPGA Accelerator for Molecular Dynamics Simulation

MEDINA: MECCA Development in Accelerators – KPP Fortran to CUDA source-to-source Preprocessor

GPU accelerated atmospheric chemical kinetics in the ECHAM/MESSy (EMAC) Earth system model

A Domain Specific Language for Performance Portable Molecular Dynamics Algorithms

Exploiting Multi-level Parallelism on a Many-core System for the Application of Hyperheuristics to a Molecular Docking Problem

Recent source codes

Mass_Flow_Estimation: Semi-supervised implementation of a DNN for mass prediction from sparsely labeled images

KNN: k-Nearest Neighbours algorithm

SODECL: library of ordinary differential equation (ODE) and stochastic differential equation (SDE) solvers in OpenCL

sisph: Simple Iterative Incompressible Smoothed Particle Hydrodynamics

GraphBLAST: High-Performance Linear Algebra-based Graph Primitives on GPUs

FAST: Framework for Heterogeneous Medical Image Computing and Visualization

ESBMC-GPU

FBLAS: BLAS implementation for Intel FPGA

CuLE: A CUDA port of the Atari Learning Environment (ALE)

MagmaDNN

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Featured events

7th International Workshop on OpenCL, 2019

Distributed Heterogeneous Programming in C/C++ (DHPCC++), 2019

3rd International Workshop on Theoretical Approaches to Performance Evaluation, Modeling and Simulation (TAPEMS), 2019

International Conference on Frontiers of Neural Networks (ICFNN), 2019

International Conference on Frontiers of Artificial Intelligence and Machine Learning (FAIML), 2019