high performance computing on graphics processing units: hgpu.org

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

Over-synchronization in GPU Programs

profile_util: simple C++ library to report memory, timing, thread affinity

Profile Util library: A quick and easy way to get MPI, OpenMP and GPU runtime information

MaC: Mamba CPU performance predictor

MambaCPU: Enhanced Correlation Mining with State Space Models for CPU Performance Prediction

Mixed-precision finite element kernels

Mixed-precision finite element kernels and assembly: Rounding error analysis and hardware acceleration

SHMT: The Simultaneous and Heterogenous Multithreading project

General-Purpose Computing on Tensor Processors

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

EnergyUCB-Bandit

Online Energy Optimization in GPUs: A Multi-Armed Bandit Approach

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high performance computing on graphics processing units: hgpu.org

Applications

Optimization of Molecular Dynamics Simulation Code and Applications to Biomolecular Systems

Scalable Metropolis Monte Carlo for simulation of hard shapes

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Generating Efficient Tensor Contractions for GPUs

Quantum Chemistry for Solvated Molecules on Graphical Processing Units (GPUs) using Polarizable Continuum Models

Nucleation Studies on Graphics Processing Units

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

Recent source codes

Kokkidio: Kokkos+Eigen - write fast, readable multi-platform code

LLaMA-Inference-Bench

MATAR

Over-synchronization in GPU Programs

profile_util: simple C++ library to report memory, timing, thread affinity

MaC: Mamba CPU performance predictor

Mixed-precision finite element kernels

SHMT: The Simultaneous and Heterogenous Multithreading project

Superpipeline: A Universal Approach for Reducing GPU Memory Usage in Large Models

EnergyUCB-Bandit

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