high performance computing on graphics processing units: hgpu.org

Jorge Frances Monllor, Sergio Bleda Perez, Sergi Gallego Rico, Cristian Neipp Lopez, Andres Marquez Ruiz, Inmaculada Pascual Villalobos, Augusto Belendez Vazquez

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Tags: CUDA, Electrodynamics, Electrostatic potential, Electrostatics, FDTD, FEM, Finite element method, Finite-difference time-domain, nVidia, nVidia GeForce GTX 470

December 13, 2011 by hgpu

Efficient Calculation of Pairwise Nonbonded Forces

Matt Chiu, Md. Ashfaquzzaman Khan, Martin C. Herbordt

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Tags: Chemistry, Electrostatics, FPGA, Molecular dynamics, Optimization, Performance

August 15, 2011 by hgpu

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

Narayan Ganesan, Brad A. Bauer, Timothy R. Lucas, Sandeep Patel, Michela Taufer

Tags: Algorithms, Chemistry, Computational chemistry, Electrostatic potential, Electrostatics, Molecular dynamics

August 8, 2011 by hgpu

Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns

Rio Yokota, Jaydeep P. Bardhan, Matthew G. Knepley, L. A. Barba, Tsuyoshi Hamada

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Source codes

Tags: Chemical Physics, Computational Physics, Computer science, CUDA, Electrostatics, Fast multipole method, Integral equations, nVidia, nVidia GeForce GTX 295, Package

February 14, 2011 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

See all packages

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high performance computing on graphics processing units: hgpu.org

A Simplified and Accurate Model of Power-Performance Efficiency on Emergent GPU Architectures

Validation of the PyGBe code for Poisson-Boltzmann equation with boundary element methods

A GPU-accelerated Direct-sum Boundary Integral Poisson-Boltzmann Solver

Iterative Krylov solution methods for geophysical electromagnetic simulations on throughput-oriented processing units

Charged particles constrained to a curved surface

Multi-dimensional characterization of electrostatic surface potential computation on graphics processors

Implementing Molecular Dynamics on Hybrid High Performance Computers – Particle-Particle Particle-Mesh

Parallel computing system for the efficient calculation of molecular similarity based on negative electrostatic potential

Development of an unified FDTD-FEM library for electromagnetic analysis with CPU and GPU computing

Efficient Calculation of Pairwise Nonbonded Forces

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs)

Biomolecular electrostatics using a fast multipole BEM on up to 512 GPUs and a billion unknowns

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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