31,100 research outputs found

    Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

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    GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

    Investigations on electromagnetic noises and interactions in electronic architectures : a tutorial case on a mobile system

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    Electromagnetic interactions become critic in embedded and smart electronic structures. The increase of electronic performances confined in a finite volume or support for mobile applications defines new electromagnetic environment and compatibility configurations (EMC). With canonical demonstrators developed for tutorials and EMC experiences, this paper present basic principles and experimental techniques to investigate and control these severe interferences. Some issues are reviewed to present actual and future scientific challenges for EMC at electronic circuit level

    Cooperation of Nature and Physiologically Inspired Mechanism in Visualisation

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    A novel approach of integrating two swarm intelligence algorithms is considered, one simulating the behaviour of birds flocking (Particle Swarm Optimisation) and the other one (Stochastic Diffusion Search) mimics the recruitment behaviour of one species of ants – Leptothorax acervorum. This hybrid algorithm is assisted by a biological mechanism inspired by the behaviour of blood flow and cells in blood vessels, where the concept of high and low blood pressure is utilised. The performance of the nature-inspired algorithms and the biologically inspired mechanisms in the hybrid algorithm is reflected through a cooperative attempt to make a drawing on the canvas. The scientific value of the marriage between the two swarm intelligence algorithms is currently being investigated thoroughly on many benchmarks and the results reported suggest a promising prospect (al-Rifaie, Bishop & Blackwell, 2011). We also discuss whether or not the ‘art works’ generated by nature and biologically inspired algorithms can possibly be considered as ‘computationally creative’

    Platforms, Markets and Innovation: An Introduction

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    The emergence of platforms, whether used inside firms, across supply chains, or as building blocks that act as engines of innovation and redefine industrial architectures, is a novel phenomenon affecting most industries today, from products to services. This book, the first of its kind dedicated to the emerging field of platform research, presents leading-edge contributions from top international scholars from strategy, economics, innovation, organizations and knowledge management. This book represents a milestone for the vibrant field of platform research. It is the outcome of an ambitious international collaboration, regrouping and making connections between the research work of 24 scholars, affiliated with 19 universities, in seven countries over four continents. The novel insights assembled in the 14 chapters of this volume constitute a fundamental step towards an empirically based, nuanced understanding of the nature of platforms and the implications they hold for the evolution of industrial innovation. But what exactly are platforms? Why should we care about them? And, why do we need a book about them
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