Hierarchical N-Body problem on graphics processor unit

Galactic simulation is an important cosmological computation, and represents a classical N-body problem suitable for implementation on vector processors. Barnes-Hut algorithm is a hierarchical N-Body method used to simulate such galactic evolution systems. Stream processing architectures expose data locality and concurrency available in multimedia applications. On the other hand, there are numerous compute-intensive scientific or engineering applications that can potentially benefit from such computational and communication models. These applications are traditionally implemented on vector processors. Stream architecture based graphics processor units (GPUs) present a novel computational alternative for efficiently implementing such high-performance applications. Rendering on a stream architecture sustains high performance, while user-programmable modules allow implementing complex algorithms efficiently. GPUs have evolved over the years, from being fixed-function pipelines to user programmable processors. In this thesis, we focus on the implementation of Barnes-Hut algorithm on typical current-generation programmable GPUs. We exploit computation and communication requirements present in Barnes-Hut algorithm to expose their suitability for user-programmable GPUs. Our implementation of the Barnes-Hut algorithm is formulated as a fragment shader targeting the selected GPU. We discuss implementation details, design issues, results, and challenges encountered in programming the fragment shader

A pilgrimage to gravity on GPUs

In this short review we present the developments over the last 5 decades that have led to the use of Graphics Processing Units (GPUs) for astrophysical simulations. Since the introduction of NVIDIA's Compute Unified Device Architecture (CUDA) in 2007 the GPU has become a valuable tool for N-body simulations and is so popular these days that almost all papers about high precision N-body simulations use methods that are accelerated by GPUs. With the GPU hardware becoming more advanced and being used for more advanced algorithms like gravitational tree-codes we see a bright future for GPU like hardware in computational astrophysics.Comment: To appear in: European Physical Journal "Special Topics" : "Computer Simulations on Graphics Processing Units" . 18 pages, 8 figure

The gravitational billion body problem : Het miljard deeltjes probleem

The increased availability of accelerator technology in modern supercomputers forces users to redesign their algorithms. These accelerators are specifically designed to offer huge amounts of parallel compute power. In this thesis I show how to harness the power of these parallel processors for astrophysical simulations. I start with an introduction that presents the developments in astrophysical algorithms and used hardware since the 1960__s till today. In the following scientific chapters I discuss the use of GPU accelerator technology for direct N-body methods and for the more advanced hierarchical algorithms. These advanced algorithms are more complex to implement on large parallel architectures, but by redesigning the algorithms it is possible to take advantage of the GPU. The developed algorithms are applied to simulate galaxy mergers to explain discrepancies in observational results. In the simulations we test different merger configurations and try to match the results with observational data. The final chapter shows how to scale the developed software code to thousands of GPUs as available in the Titan supercomputer. The in this thesis developed and presented algorithms allow astronomers to take advantage of the new GPU technology and thereby run simulations that contain thousand times more particles than was possible beforeNWOUBL - phd migration 201

Tools for Biomolecular Modeling and Simulation

Electrostatic interactions play a pivotal role in understanding biomolecular systems, influencing their structural stability and functional dynamics. The Poisson-Boltzmann (PB) equation, a prevalent implicit solvent model that treats the solvent as a continuum while describes the mobile ions using the Boltzmann distribution, has become a standard tool for detailed investigations into biomolecular electrostatics. There are two primary methodologies: grid-based finite difference or finite element methods and body-fitted boundary element methods. This dissertation focuses on developing fast and accurate PB solvers, leveraging both methodologies, to meet diverse scientific needs and overcome various obstacles in the field

A fast multipole method for stellar dynamics

The approximate computation of all gravitational forces between $N$ interacting particles via the fast multipole method (FMM) can be made as accurate as direct summation, but requires less than $\mathcal{O}(N)$ operations. FMM groups particles into spatially bounded cells and uses cell-cell interactions to approximate the force at any position within the sink cell by a Taylor expansion obtained from the multipole expansion of the source cell. By employing a novel estimate for the errors incurred in this process, I minimise the computational effort required for a given accuracy and obtain a well-behaved distribution of force errors. For relative force errors of $\sim10^{-7}$, the computational costs exhibit an empirical scaling of $\propto N^{0.87}$. My implementation (running on a 16 core node) out-performs a GPU-based direct summation with comparable force errors for $N\gtrsim10^5$.Comment: 21 pages, 15 figures, accepted for publication in Journal for Computational Astrophysics and Cosmolog