high performance computing on graphics processing units: hgpu.org

Applications

Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

Marcos Novalbos, Jaime Gonzalez, Miguel A. Otaduy, Roberto Martinez Benito, Alberto Sanchez

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Tags: Algorithms, Biomolecules, Chemistry, CUDA, Electrostatic potential, Electrostatics, FFT, Molecular dynamics, Multilevel summation, N-body simulation, nVidia, nVidia GeForce GTX 580, nVidia GeForce GTX Titan

September 15, 2014 by hgpu

New efficient integral algorithms for quantum chemistry

Jaime Axel Rosal Sandberg

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Tags: Algorithms, Chemistry, CUDA, nVidia, Thesis

September 3, 2014 by hgpu

Cell Charge Approximation for Accelerating Molecular Simulation on CUDA-Enabled GPU

Shyam Mohan K T, Jayaraj P B

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Tags: Chemistry, CUDA, Electrostatics, Molecular dynamics, Molecular simulation, nVidia, Programming techniques

August 7, 2014 by hgpu

Molecular dynamics simulations through GPU video games technologies

Styliani Loukatou, Louis Papageorgiou, Paraskevas Fakourelis, Arianna Filntisi, Eleftheria Polychronidou, Ioannis Bassis, Vasileios Megalooikonomou, Wojciech Makalowski, Dimitrios Vlachakis, Sophia Kossida

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Tags: Bioinformatics, Biology, Chemistry, CUDA, Medicine, Molecular dynamics, nVidia, OpenCL, Physics

July 4, 2014 by hgpu

Evaluating CP2K on Exascale Hardware: Intel Xeon Phi

Fiona Reid, Iain Bethune

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Tags: Chemistry, Intel Xeon Phi, Molecular dynamics, MPI, OpenMP

June 15, 2014 by hgpu

Enabling CP2K Application for Exascale Computing with Accelerators using OpenACC and OpenCL

Mariusz Uchronski, Agnieszka Kwiecien, Marcin Gebarowski

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Tags: ATI, ATI Radeon HD 6950, Chemistry, CUDA, Matrix multiplication, Molecular simulation, MPI, nVidia, OpenACC, OpenCL, Sparse matrix, Tesla M2075

May 16, 2014 by hgpu

Atmospheric Chemistry

Istvan Lagzi, Robert Meszaros, Gyorgyi Gelybo, Adam Leelossy

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Tags: Book, Chemistry, CUDA, Earth and Space Sciences, nVidia, nVidia GeForce 8800 GTS, nVidia GeForce 8800 GTX, Review

April 30, 2014 by hgpu

Parallelization of the Algorithm WHAM with NVIDIA CUDA

Nicolo' Savioli

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, nVidia, nVidia GeForce 9500 GT, nVidia GeForce GT 320 M, Physics, Thesis

February 2, 2014 by hgpu

A Highly Extensible Framework for Molecule Dynamic Simulation on GPUs

Xiao Zhang, Wan Guo, Xiao Qin, Xiaonan Zhao

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Tags: Chemistry, CUDA, Molecular dynamics, nVidia, Package, Tesla C2070, Tesla M2070, Tesla S1070

December 8, 2013 by hgpu

PG-PuReMD: A Parallel-GPU Reactive Molecular Dynamics Package

Sudhir B Kylasa, Hasan Metin Aktulga, Ananth Grama

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, nVidia, Tesla C2050

November 26, 2013 by hgpu

Efficient SDS Simulations on Multi-GPU Nodes of XSEDE High-end Clusters

Samuel Schlachter, Stephen Herbein, Michela Taufer, Shuching Ou, Sandeep Patel, Jeremy S. Logan

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Tags: Chemistry, CUDA, GPU cluster, nVidia, Tesla M2090, Virtualization

October 25, 2013 by hgpu

Implementing Molecular Dynamics on Hybrid High Performance Computers – Three-Body Potentials

W. Michael Brown, Masako Yamada

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Tags: Algorithms, Chemistry, CUDA, Molecular dynamics, nVidia, Package, Physics, Tesla K20

August 20, 2013 by hgpu

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Clava: C/C++ Source-to-Source Tool based on Clang

Challenges and Opportunities in C/C++ Source-To-Source Compilation

gpuLik

Statistical Computing With Graphics Processing Units

Octo-Tiger: Astrophysics program simulating the evolution of star systems based on the fast multipole method on adaptive Octrees

Stellar Mergers with HPX-Kokkos and SYCL: Methods of using an Asynchronous Many-Task Runtime System with SYCL

BAT: A standardized benchmark suite for auto-tuners

Towards a Benchmarking Suite for Kernel Tuners

BenchDirect: A Directed Language Model for Compiler Benchmarks

A Deep Learning Model for Loop Interchange

Bridging Control-Centric and Data-Centric Optimization

Advanced evolutionary computation library built directly on top of PyTorch, created at NNAISENSE

EvoTorch: Scalable Evolutionary Computation in Python

DeepAxe: A Framework for Exploration of Approximation and Reliability Trade-offs in DNN Accelerators

RTIndeX: Exploiting Hardware-Accelerated GPU Raytracing for Database Indexing

See all packages

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high performance computing on graphics processing units: hgpu.org

Applications

Scalable Multi-GPU Simulation of Long-Range Molecular Dynamics

New efficient integral algorithms for quantum chemistry

Cell Charge Approximation for Accelerating Molecular Simulation on CUDA-Enabled GPU

Molecular dynamics simulations through GPU video games technologies

Evaluating CP2K on Exascale Hardware: Intel Xeon Phi

Enabling CP2K Application for Exascale Computing with Accelerators using OpenACC and OpenCL

Atmospheric Chemistry

Parallelization of the Algorithm WHAM with NVIDIA CUDA

A Highly Extensible Framework for Molecule Dynamic Simulation on GPUs

PG-PuReMD: A Parallel-GPU Reactive Molecular Dynamics Package

Efficient SDS Simulations on Multi-GPU Nodes of XSEDE High-end Clusters

Implementing Molecular Dynamics on Hybrid High Performance Computers – Three-Body Potentials

Recent source codes

Clava: C/C++ Source-to-Source Tool based on Clang

gpuLik

Octo-Tiger: Astrophysics program simulating the evolution of star systems based on the fast multipole method on adaptive Octrees

BAT: A standardized benchmark suite for auto-tuners

BenchDirect: A Directed Language Model for Compiler Benchmarks

A Deep Learning Model for Loop Interchange

Bridging Control-Centric and Data-Centric Optimization

Advanced evolutionary computation library built directly on top of PyTorch, created at NNAISENSE

DeepAxe: A Framework for Exploration of Approximation and Reliability Trade-offs in DNN Accelerators

RTIndeX: Exploiting Hardware-Accelerated GPU Raytracing for Database Indexing

Most viewed papers (last 30 days)