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

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

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

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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