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Simulation Winter Conference

作者： Simon J. E. Taylor Anastasia Anagnostou Tamas Kiss Gabor Terstyanszky Peter Kacsuk Nicola Fantini Department of Computer Science Brunel University London Kingston Lane Uxbridge UNITED KINGDOM Centre for Parallel Computing University of Westminster UNITED KINGDOM MTASZTAKI Victor Hugo utca 18–22 Budapest HUNGARY ScaleTools Schweiz AG (Headquarter) Huobstrasse Zurich SWITZERLAND

Cloud computing facilitates access to elastic high performance computing without the associated high cost. Agent-based Modeling & Simulation (ABMS) is being used across many scientific disciplines to study complex adaptive systems. Repast Simphony (Recursive Porous Agent Simulation Toolkit) is a widely used ABMS system. Cloud computing can speed-up significantly ABMS to facilitate more accurate and faster results, timely experimentation, and optimization. However, the many different Clouds, Cloud middleware and Service approaches make the development of Cloud-based ABMS highly complex. This tutorial introduces the CloudSME Simulation Platform (CSSP) that enables simulation software to be deployed as service (SaaS) supported by a cloud platform (PaaS). It shows how Repast can be deployed as a cloud computing service as part of a workflow of tasks. A case study demonstrates how the CSSP can easily run agent-based simulations written in Repast on multiple Clouds.

关键词： Computational modeling Cloud computing Adaptation models Topology Data models Software as a service

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INTEGRATED SERVICE AND DESKTOP GRIDS FOR SCIENTIFIC computing

INTEGRATED SERVICE AND DESKTOP GRIDS FOR SCIENTIFIC COMPUTIN...

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第八届分布式计算及其应用国际学术研讨会

作者： Robert Lovas Tamas Kiss Computer and Automation Research Institute Hungarian Academy of Sciences Kende u.13-17Budapest1111Hungary Centre for Parallel Computing University of Westminster 115 New Cavendish StreetLondonW1W 6UWUK

Currently two different approaches can be distinguished in the research and development of Grid *** case of traditional Service Grids(such as operated in the EGEE project),the infrastructure consists of several well maintained clusters and data centers,which are provided by institutes and universities in order to serve the demands of large user *** the other hand,Desktop Grid solutions -such as Internet-based distributed or volunteer computing infrastructures-usually collect non-reliable resources from the donors(desktop PC owners)for some selected,grand challenge *** this paper we discuss a generic bridge solution between these different computation platforms,and demonstrate its capabilities and advantages by applications. As one of the key issues,the software build,test,and validation procedures in such heterogeneous environment will be outlined based on the ETICS-2 services as *** presented solution tries to offer best practices for other Grid initiatives and projects;how to tackle the digital fragmentation with gateways,quality assurance and reliability issues concerning scientific Grid systems.

关键词： Desktop Grid,Service Grid,Gateway, Applications,Build and Test Procedures,Validation,Software Quality

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Persistence exponents in a three-dimensional symmetric binary fluid mixture

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Physical Review E 2000年第4期61卷 4029-4029页

作者： V. M. Kendon M. E. Cates J.-C. Desplat Department of Physics and Astronomy JCMB King’s Buildings University of Edinburgh Mayfield Road Edinburgh EH9 3JZ United Kingdom Edinburgh Parallel Computing Centre JCMB King’s Buildings University of Edinburgh Mayfield Road Edinburgh EH9 3JZ United Kingdom

The persistence exponent, θ, is defined by NF∼t−θ, where t is the time since the start of the coarsening process and the “no-flip fraction,” NF, is the number of points that have not seen a change of “color” since t=0. Here we investigate numerically the persistence exponent for a binary fluid system where the coarsening is dominated by hydrodynamic transport. We find that NF follows a power law decay (as opposed to exponential) with the value of θ somewhat dependent on the domain growth rate (L∼tα, where L is the average domain size), in the range θ=1.23±0.1 (α=2/3) to θ=1.37±0.2 (α=1). These α values correspond to the inertial and viscous hydrodynamic regimes, respectively.

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Distributed Simulation and the Grid: Position Statements

Distributed Simulation and the Grid: Position Statements

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International Workshop/Symposium on Distributed Simulation and Real-Time Applications (DS-RT)

作者： S.J.E. Taylor G.V. Popescu J.M. Pullen S.J. Turner Centre for Applied Simulation Modeling Brunei University Uxbridge Middlesex UK IBM Thomas J. Watson Research Center Yorktown Heights NY USA C3I Center George Mason University Fairfax VA USA Parallel & Distributed Computing Centre Nanyang Technological University Singapore

The Grid provides a new and unrivaled technology for large scale distributed simulation as it enables collaboration and the use of distributed computing resources. This panel paper presents the views of four researchers in the area of Distributed Simulation and the Grid. Together we try to identify the main research issues involved in applying Grid technology to distributed simulation and the key future challenges that need to be solved to achieve this goal. Such challenges include not only technical challenges, but also political ones such as management methodology for the Grid and the development of standards. The benefits of the Grid to end-user simulation modelers also are discussed.

关键词： Grid computing Resource management Delay Government Web and internet services Computer aided manufacturing parallel processing Feedback Industrial economics Investments

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Improving simulation through advanced computing techniques: Grid computing and simulation interoperability 10

Improving simulation through advanced computing techniques: ...

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Simulation Winter Conference

作者： Simon J. E. Taylor Navonil Mustafee Shane Kite Chris Wood Stephen J. Turner Steffen Straßburger ICT Innovation Group School of Information Systems Computing and Mathematics Uxbridge UK School of Business and Economics Swansea University Swansea UK Saker Solutions Upper Courtyard Alcester UK Saker Solutions Alcester UK Swansea University School of Business and Economics Wales UK Nanyang Technological University Parallel & Distributed Computing Centre School of Computer Engineering Singapore SINGAPORE Technische Universitat Ilmenau Ilmenau ThÃ¼ringen DE

ISBN: (纸本)9781424498642

Today, due to exciting developments in advanced computing techniques and technologies, many scientists can now make use of dedicated high speed networks and high performance computing. This so-called `e-Science' in enabling scientist across many fields to work together in global virtual research communities. What do these advancements mean for modeling and simulation? This advanced tutorial instigates two key areas that are affecting the way M&S projects are being developed and deployed. Grid computing addresses the use of many computers to speed up applications. Simulation Interoperability deals with linking together remote simulations and/or speeding up the execution of a single run. Through the use of case studies we hope to show that both these areas are making a major impact on the practice of M&S in both industry and science, as well as in turn supporting the future capabilities of e-Science.

关键词： Biological system modeling Computational modeling Grid computing Analytical models Middleware Mathematical model Software

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Synchronizing the Timestamps of Concurrent Events in Traces of Hybrid MPI/OpenMP Applications

Synchronizing the Timestamps of Concurrent Events in Traces ...

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IEEE International Conference on Cluster computing

作者： Daniel Becker Markus Geimer Rolf Rabenseifner Felix Wolf Department of Computer Science RWTH Aachen University Aachen Germany German Research School for Simulation Sciences Laboratory for Parallel Programming Aachen Germany Forschungszentrum Jülich Jülich Supercomputing Centre Jülich Germany University of Stuttgart High Performance Computing-Center Stuttgart Germany

Event traces are helpful in understanding the performance behavior of parallel applications since they allow the in-depth analysis of communication and synchronization patterns. However, the absence of synchronized clocks on most cluster systems may render the analysis ineffective because inaccurate relative event timings may misrepresent the logical event order and lead to errors when quantifying the impact of certain behaviors or confuse the users of time-line visualization tools by showing messages flowing backward in time. In our earlier work, we have developed a scalable algorithm that eliminates inconsistent inter-process timings postmortem in traces of pure MPI applications. Since hybrid programming, the combination of MPI and OpenMP in a single application, is becoming more popular on clusters in response to rising numbers of cores per chip and widening shared-memory nodes, we present an extended version of the algorithm that in addition to message-passing event semantics also preserves and restores shared-memory event semantics.

关键词： Clocks Message systems Semantics Synchronization Algorithm design and analysis Interpolation

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User-friendly workflows in quantum chemistry 5

User-friendly workflows in quantum chemistry

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5th International Workshop on Science Gateways, IWSG 2013

作者： Herres-Pawlis, Sonja Hoffmann, Alexander Gesing, Sandra Krüger, Jens Balasko, Akos Kacsuk, Peter Grunzke, Richard Birkenheuer, Georg Packschies, Lars Brinkmann, Andre Terstyansky, Gabor Weingarten, Noam Fakultät für Chemie und Pharmazie Department Chemie Ludwig-Maximilians-Universität München Butenandtstr. 5-13 München81377 Germany Center for Bioinformatics Tübingen University of Tübingen Sand 14 Tübingen72076 Germany MTA SZTAKI Computer and Automation Research Institute Hungarian Academy of Sciences Budapest Hungary Zentrum für Informationsdienste und Hochleistungsrechnen Technische Universität Dresden Zellescher Weg 12-14 Dresden01062 Germany Paderborn Center for Parallel Computing University of Paderborn Warburger Str. 100 Paderborn33098 Germany Regionales Rechenzentrum Universität zu Köln Weyertal 121 50931 Germany Zentrum für Datenverarbeitung University of Mainz Saarstraße 21 Mainz55122 Germany Centre for Parallel Computing School of Electronics and Computer Science University of Westminster 115 New Cavendish Street LondonW1W 6UW United Kingdom

Quantum chemical workflows can be built up within the science gateway MoSGrid (Molecular Simulation Grid). Complex workflows required by the endusers are dissected into smaller workflows which can be combined freely to larger meta-workflows. General quantum chemical workflows are described here as well as the real use case of a spectroscopic analysis resulting in an enduser desired meta-workflow. All workflow features are implemented via WS-PGRADE and submitted to UNICORE. The workflows are stored in the MoSGrid repository and ported to the SHIWA repository.

关键词： Quantum chemistry

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Investigating distributed simulation at the Ford Motor Company

Investigating distributed simulation at the Ford Motor Compa...

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International Workshop/Symposium on Distributed Simulation and Real-Time Applications (DS-RT)

作者： S.J.E. Taylor L. Behli Xiaoguang Wang S.J. Turner J. Ladbrook Centre for Applied Simulation Modeling Brunel University Uxbridge Middlesex UK Centre for Appl. Simulation Modeling Brunei Univ. Uxbridze Middlesex UK Parallel and Distributed Computing Centre Nanyang Technological University Singapore Dunton Engineering Centre Ford Motor Company Limited Basildon Essex UK Dunton Engineering Centre Ford Motor Company Mail 15/4a-F04-D Basildon UK

Engine production is a complex process that requires the manufacturing and assembly of a wide variety of components to create a varied product mix. Simulation plays a key role in the planning process of a new production line to determine if it can meet expected demand. However, these simulations can be very time consuming and can often take up to a day to execute a single run. This paper investigates how distributed simulation based on the IEEE 1516 High Level Architecture and the emerging standard COTS Simulation Package Interoperability Product Development Group (CSPI-PDG) Type I Interoperability Reference Model could be used to reduce the time taken for a single simulation run. CSP interoperability and the problem of integrating CSPs with HLA software (the runtime infrastructure) are presented. New prototype benchmarking software, the COTS Simulation Package Emulator (CSPE), which is being developed to investigate distributed simulation problems, is discussed. The paper then develops a case study of how this was used to investigate the feasibility of using distributed simulation at Ford. The paper discusses results obtained from this case study and suggests that distributed simulation could indeed be beneficial to Ford.

关键词： Packaging Engines Manufacturing processes Assembly Meeting planning Process planning Production planning Computer architecture Standards development Product development

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High quality preconditioning of a general symmetric positive definite matrix based on its UTU + UTR + RTU-decomposition

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Numerical Linear Algebra with Applications 1999年第6期5卷

作者： Igor E. Kaporin Centre for Supercomputer and Massively Parallel Applications Computing Centre of Russian Academy of Sciences Vavilova 40 Moscow 117967 Russia

A new matrix decomposition of the form A = U T U + U T R + R T U is proposed and investigated, where U is an upper triangular matrix (an approximation to the exact Cholesky factor U 0 ), and R is a strictly upper triangular error matrix (with small elements and the fill-in limited by that of U 0 ). For an arbitrary symmetric positive matrix A such a decomposition always exists and can be efficiently constructed; however it is not unique, and is determined by the choice of an involved truncation rule. An analysis of both spectral and K-condition numbers is given for the preconditioned matrix M = U −T AU −1 and a comparison is made with the RIC preconditioning proposed by Ajiz and Jennings. A concept of approximation order of an incomplete factorization is introduced and it is shown that RIC is the first order method, whereas the proposed method is of second order. The idea underlying the proposed method is also applicable to the analysis of CGNE-type methods for general non-singular matrices and approximate LU factorizations of non-symmetric positive definite matrices. Practical use of the preconditioning techniques developed is discussed and illustrated by an extensive set of numerical examples. Copyright © 1999 John Wiley & Sons, Ltd.

关键词： sparse linear systems symmetric positive definite matrices iterative solvers incomplete factorization preconditionings conjugate gradients K-condition number unsymmetric positive definite matrices

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A practical algorithm for faster matrix multiplication

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Numerical Linear Algebra with Applications 2000年第8期6卷

作者： Igor Kaporin Centre for Supercomputer and Massively Parallel Applications Computing Centre of the Russian Academy of Sciences Vavilova 40 Moscow 117967 Russia

The purpose of this paper is to present an algorithm for matrix multiplication based on a formula discovered by Pan [7]. For matrices of order up to 10 000, the nearly optimum tuning of the algorithm results in a rather clear non-recursive one- or two-level structure with the operation count comparable to that of the Strassen algorithm [9]. The algorithm takes less workspace and has better numerical stability as compared to the Strassen algorithm, especially in Winograd's modification [2]. Moreover, its clearer and more flexible structure is potentially more suitable for efficient implementation on modern supercomputers. Copyright © 1999 John Wiley & Sons, Ltd.

关键词： fast matrix multiplication Strassen algorithm Pan's disjoint products numerical stability

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