high performance computing on graphics processing units: hgpu.org

Document clustering is a central method to mine massive amounts of data. Due to the explosion of raw documents generated on the Internet and the necessity to analyze them efficiently in various intelligent information systems, clustering techniques have reached their limitations on single processors. Instead of single processors, general-purpose multi-core chips are increasingly deployed in […]

BACKGROUND:Human geneticists are now capable of measuring more than one million DNA sequence variations from across the human genome. The new challenge is to develop computationally feasible methods capable of analyzing these data for associations with common human disease, particularly in the context of epistasis. Epistasis describes the situation where multiple genes interact in a […]

3D registration is a computer vision technique of aligning multi-view range images with respect to a reference coordinate system. Aligning range images is an important but time-consuming task for complete 3D reconstruction. In this paper, we propose a real-time 3D registration technique by employing the computing power of graphic processing unit (GPU). A point-to-plane 3D […]

We present a GPU accelerated solver for simulations of bluff body flows in 2D using a remeshed vortex particle method and the vorticity formulation of the Brinkman penalization technique to enforce boundary conditions. The efficiency of the method relies on fast and accurate particle-grid interpolations on GPUs for the remeshing of the particles and the […]

We present teraflop-scale simulations of biomolecular electrostatics enabled by the combination of algorithmic and hardware acceleration. The algorithmic acceleration is achieved with the fast multipole method (FMM) in conjunction with a boundary element method (BEM) formulation of the continuum electrostatic model, as well as the BIBEE approximation to BEM. The hardware acceleration is achieved through […]

We describe an algorithm for computing nonbonded interactions with cutoffs on a graphics processing unit. We have incorporated it into OpenMM, a library for performing molecular simulations on high-performance computer architectures. We benchmark it on a variety of systems including boxes of water molecules, proteins in explicit solvent, a lipid bilayer, and proteins with implicit […]

Molecular dynamics (MD) simulation involves solving Newton’s equations of motion for a system of atoms, by calculating forces and updating atomic positions and velocities over a timestep Deltat. Despite the large amount of computing power currently available, the timescale of MD simulations is limited by both the small timestep required for propagation, and the expensive […]

BACKGROUND:Due to its high sensitivity, the Smith-Waterman algorithm is widely used for biological database searches. Unfortunately, the quadratic time complexity of this algorithm makes it highly time-consuming. The exponential growth of biological databases further deteriorates the situation. To accelerate this algorithm, many efforts have been made to develop techniques in high performance architectures, especially the […]

In this paper we introduce a new technique for data-dependent triangulation which is suitable for implementation on a GPU. Our solution is based on a new parallel version of the well known Lawson’s optimization process and is fully compatible with restrictions of the GPU hardware. We test and compare the quality of our solution in […]

Spiking models can accurately predict the spike trains produced by cortical neurons in response to somatically injected currents. Since the specific characteristics of the model depend on the neuron, a computational method is required to fit models to electrophysiological recordings. The fitting procedure can be very time consuming both in terms of computer simulations and […]

We present a number of optimization techniques to compute prefix sums on linked lists and implement them on multithreaded GPUs using CUDA. Prefix computations on linked structures involve in general highly irregular fine grain memory accesses that are typical of many computations on linked lists, trees, and graphs. While the current generation of GPUs provides […]

PMID: 20199097 Although molecular dynamics simulation methods are useful in the modeling of macromolecular systems, they remain computationally expensive, with production work requiring costly high-performance computing (HPC) resources. We review recent innovations in accelerating molecular dynamics on graphics processing units (GPUs), and we describe GPUGRID, a volunteer computing project that uses the GPU resources of […]