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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

Portable and Performant GPU/Heterogeneous Asynchronous Many-Task Runtime System

Bradley Peterson

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Tags: Computer science, CUDA, Heterogeneous systems, Intel Xeon Phi, MPI, nVidia, nVidia GeForce GTX 680, nVidia GeForce GTX Titan X, OpenCL, SYCL, Tesla K20, Thesis

March 8, 2020 by hgpu

EASYPAP: a Framework for Learning Parallel Programming

Alice Lasserre, Raymond Namyst, Pierre-André Wacrenier

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Tags: Algorithms, AVX, Computer science, Education, MPI, OpenCL, OpenMP, Package, Pthreads

February 16, 2020 by hgpu

Scalable Applications on Heterogeneous System Architectures: A Systematic Performance Analysis Framework

Robert Dietrich

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Tags: Computer science, CUDA, Data acquisition, Heterogeneous systems, MPI, nVidia, OpenACC, OpenCL, Tesla K80, Tesla V100, Thesis

December 1, 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

ArborX: A Performance Portable Search Library

D. Lebrun-Grandie, A. Prokopenko, B. Turcksin, S. R. Slattery

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Tags: Algorithms, Computer science, CUDA, Mathematical Software, MPI, OpenMP, Package, performance portability

September 8, 2019 by hgpu

A Comparative Study of Asynchronous Many-Tasking Runtimes: Cilk, Charm++, ParalleX and AM++

Abhishek Kulkarni, Andrew Lumsdaine

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Tags: Computer science, HPC, MPI

April 20, 2019 by hgpu

cuSten – CUDA Finite Difference and Stencil Library

Andrew Gloster, Lennon O'Naraigh

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Tags: Computational Physics, Computer science, CUDA, Finite difference, MPI, nVidia, nVidia GeForce GTX Titan X, Package, PDEs

March 3, 2019 by hgpu

Heterogeneous Distributed Big Data Clustering on Sparse Grids

David Pfander, Gregor Daiss, Dirk Pfluger

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Tags: Clustering, Computer science, Data mining, Distributed computing, Heterogeneous systems, Machine learning, MPI, nVidia, OpenCL, Package, performance portability, Tesla P100

February 10, 2019 by hgpu

Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes

Emanuele Vitali, Davide Gadioli, Gianluca Palermo, Andrea Beccari, Carlo Cavazzoni, Cristina Silvano

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Tags: Computer science, CUDA, Heterogeneous systems, HPC, molecular docking, MPI, nVidia, OpenACC, OpenMP, Tesla K80

January 27, 2019 by hgpu

Automatic Performance Optimization on Heterogeneous Computer Systems using Manycore Coprocessors

Chenggang Lai

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Tags: Computer science, Heterogeneous systems, Intel Xeon Phi, MPI, OpenMP, Thesis

December 30, 2018 by hgpu

Targeting GPUs with OpenMP Directives on Summit: A Simple and Effective Fortran Experience

Reuben D. Budiardja, Christian Y. Cardall

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Tags: cfd, CUDA, Fluid dynamics, Fortran, MPI, nVidia, OpenMP, Package, Physics, Tesla V100

December 23, 2018 by hgpu

SimSYCL: Synchronous, single-threaded, library-only SYCL implementation for debugging and verification

SimSYCL: A SYCL Implementation Targeting Development, Debugging, Simulation and Conformance

gpu_tracker: Context manager and CLI that tracks the computational-resource-usage of a code block or shell command, particularly the GPU usage

gpu_tracker: Python package for tracking and profiling GPU utilization in both desktop and high-performance computing environments

CIFAR-10 Airbench: 94% on CIFAR-10 in 3.29 second

94% on CIFAR-10 in 3.29 Seconds on a Single GPU

LOOPer: a polyhedral compiler for expressing fast and portable data parallel algorithms

LOOPer: A Learned Automatic Code Optimizer For Polyhedral Compilers

OpenMC Monte Carlo Code

Performance Portable Monte Carlo Particle Transport on Intel, NVIDIA, and AMD GPUs

Polygeist: C/C++ frontend for MLIR

Retargeting and Respecializing GPU Workloads for Performance Portability

Parallel Gaussian process with kernel approximation in CUDA

See all packages

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high performance computing on graphics processing units: hgpu.org

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

Portable and Performant GPU/Heterogeneous Asynchronous Many-Task Runtime System

EASYPAP: a Framework for Learning Parallel Programming

Scalable Applications on Heterogeneous System Architectures: A Systematic Performance Analysis Framework

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

ArborX: A Performance Portable Search Library

A Comparative Study of Asynchronous Many-Tasking Runtimes: Cilk, Charm++, ParalleX and AM++

cuSten – CUDA Finite Difference and Stencil Library

Heterogeneous Distributed Big Data Clustering on Sparse Grids

Exploiting OpenMP & OpenACC to Accelerate a Molecular Docking Mini-App in Heterogeneous HPC Nodes

Automatic Performance Optimization on Heterogeneous Computer Systems using Manycore Coprocessors

Targeting GPUs with OpenMP Directives on Summit: A Simple and Effective Fortran Experience

Recent source codes

SimSYCL: Synchronous, single-threaded, library-only SYCL implementation for debugging and verification

GPU plugin for PySCF

QArray

Celerity: High-level C++ for Accelerator Clusters

gpu_tracker: Context manager and CLI that tracks the computational-resource-usage of a code block or shell command, particularly the GPU usage

CIFAR-10 Airbench: 94% on CIFAR-10 in 3.29 second

LOOPer: a polyhedral compiler for expressing fast and portable data parallel algorithms

OpenMC Monte Carlo Code

Polygeist: C/C++ frontend for MLIR

Parallel Gaussian process with kernel approximation in CUDA

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