Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

Praise for the Third Edition: "This is one of the best books available. Its excellent organizational structure allows quick reference to specific models and its clear presentation . . . solidifies the understanding of the concepts being presented."IIE Transactions on Operations EngineeringThoroughly revised and expanded to reflect the latest developments in the field, Fundamentals of Queueing Theory, Fourth Edition continues to present the basic statistical principles that are necessary to analyze the probabilistic nature of queues. Rather than presenting a narrow focus on the subject, this update illustrates the wide-reaching, fundamental concepts in queueing theory and its applications to diverse areas such as computer science, engineering, business, and operations research.This update takes a numerical approach to understanding and making probable estimations relating to queues, with a comprehensive outline of simple and more advanced queueing models. Newly featured topics of the Fourth Edition include:Retrial queuesApproximations for queueing networksNumerical inversion of transformsDetermining the appropriate number of servers to balance quality and cost of serviceEach chapter provides a self-contained presentation of key concepts and formulae, allowing readers to work with each section independently, while a summary table at the end of the book outlines the types of queues that have been discussed and their results. In addition, two new appendices have been added, discussing transforms and generating functions as well as the fundamentals of differential and difference equations. New examples are now included along with problems that incorporate QtsPlus software, which is freely available via the book's related Web site.With its accessible style and wealth of real-world examples, Fundamentals of Queueing Theory, Fourth Edition is an ideal book for courses on queueing theory at the upper-undergraduate and graduate levels. It is also a valuable resource for researchers and practitioners who analyze congestion in the fields of telecommunications, transportation, aviation, and management science.

Fundamentals of Queueing Theory

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Input Output Analysis Foundations And Extensions

Manufacturing industry profoundly impact economic and societal progress. As being a commonly accepted term for research centers and universities, the Industry 4.0 initiative has received a splendid attention of the business and research community. Although the idea is not new and was on the agenda of academic research in many years with different perceptions, the term “Industry 4.0” is just launched and well accepted to some extend not only in academic life but also in the industrial society as well. While academic research focuses on understanding and defining the concept and trying to develop related systems, business models and respective methodologies, industry, on the other hand, focuses its attention on the change of industrial machine suits and intelligent products as well as potential customers on this progress. It is therefore important for the companies to primarily understand the features and content of the Industry 4.0 for potential transformation from machine dominant manufacturing to digital manufacturing. In order to achieve a successful transformation, they should clearly review their positions and respective potentials against basic requirements set forward for Industry 4.0 standard. This will allow them to generate a well-defined road map. There has been several approaches and discussions going on along this line, a several road maps are already proposed. Some of those are reviewed in this paper. However, the literature clearly indicates the lack of respective assessment methodologies. Since the implementation and applications of related theorems and definitions outlined for the 4th industrial revolution is not mature enough for most of the reel life implementations, a systematic approach for making respective assessments and evaluations seems to be urgently required for those who are intending to speed this transformation up. It is now main responsibility of the research community to developed technological infrastructure with physical systems, management models, business models as well as some well-defined Industry 4.0 scenarios in order to make the life for the practitioners easy. It is estimated by the experts that the Industry 4.0 and related progress along this line will have an enormous effect on social life. As outlined in the introduction, some social transformation is also expected. It is assumed that the robots will be more dominant in manufacturing, implanted technologies, cooperating and coordinating machines, self-decision-making systems, autonom problem solvers, learning machines, 3D printing etc. will dominate the production process. Wearable internet, big data analysis, sensor based life, smart city implementations or similar applications will be the main concern of the community. This social transformation will naturally trigger the manufacturing society to improve their manufacturing suits to cope with the customer requirements and sustain competitive advantage. A summary of the potential progress along this line is reviewed in introduction of the paper. It is so obvious that the future manufacturing systems will have a different vision composed of products, intelligence, communications and information network. This will bring about new business models to be dominant in industrial life. Another important issue to take into account is that the time span of this so-called revolution will be so short triggering a continues transformation process to yield some new industrial areas to emerge. This clearly puts a big pressure on manufacturers to learn, understand, design and implement the transformation process. Since the main motivation for finding the best way to follow this transformation, a comprehensive literature review will generate a remarkable support. This paper presents such a review for highlighting the progress and aims to help improve the awareness on the best experiences. It is intended to provide a clear idea for those wishing to generate a road map for digitizing the respective manufacturing suits. By presenting this review it is also intended to provide a hands-on library of Industry 4.0 to both academics as well as industrial practitioners. The top 100 headings, abstracts and key words (i.e. a total of 619 publications of any kind) for each search term were independently analyzed in order to ensure the reliability of the review process. Note that, this exhaustive literature review provides a concrete definition of Industry 4.0 and defines its six design principles such as interoperability, virtualization, local, real-time talent, service orientation and modularity. It seems that these principles have taken the attention of the scientists to carry out more variety of research on the subject and to develop implementable and appropriate scenarios. A comprehensive taxonomy of Industry 4.0 can also be developed through analyzing the results of this review.

Literature review of Industry 4.0 and related technologies

Review on modeling and simulation of interdependent critical infrastructure systems

Presents dispatching and scheduling algorithms for both periodic and aperiodic jobs on a cluster of computers. A cluster system consists of one front-end node, called dispatcher and multiple back-end nodes, called schedulers. By rigorous theoretical analysis, these algorithms are optimal in the sense that each aperiodic job can achieve the shortest response time in the cluster while maintaining the schedulability of periodic jobs. The aperiodic jobs, which have no deadline requirement, are partitioned into phases and assigned deadlines by the dispatcher With the deadlines the aperiodic jobs can be scheduled uniformly under EDF together with periodic jobs. Based on extensive simulation studies, we have that the algorithms proposed in the paper can achieve great performance improvement. We also work out the workload zone in which the response time of aperiodic jobs in the cluster with N schedulers is the same as the ideal bound of response time in the corresponding M/M/N model.

Optimal dispatching and scheduling for both periodic and aperiodic jobs in cluster

Mining repeated patterns, or motifs, in CPU host load is of fundamental importance. Many recently emerging applications running on high performance computing systems rely on motif discovery for various purposes, including efficient task scheduling, energy saving, etc.. In this paper, we propose an efficient motif discovery framework for CPU host load. The framework is elaborately designed to take into account the important properties in host load data. The framework benefits from its ability of on-line discovery and the adaptivity to work with massive data. The experiments are conducted in this paper and the experimental results show that the proposed method is effective and efficient.

An efficient method for motif discovery in CPU host load

CASTEP is an application which uses the density
functional theory to calculate atomistic structure and
physical properties of materials and molecules. This
paper investigates the execution mechanisms for running
CASTEP applications using grid resources. First, a
lightweight execution environment is developed for
CASTEP, so that the CASTEP applications can be run on
any grid computing resource with the supported platform
even without the CASTEP server being installed. Then,
two execution mechanisms are developed and
implemented in this paper. One is based on Condor's file
transfer mechanism, and the other based on independent
data servers. Both mechanisms are complete with the
GridSAM job submission and monitoring service. Finally,
the performance of these mechanisms is evaluated by
deploying them on CamGrid, a university-wide
condor-based grid system at the University of Cambridge.
The experimental results suggest that the execution
mechanism based on data servers is able to deliver higher
performance; moreover, if multiple data replicas are
provided, even higher performance can be achieved.
Although these mechanisms are motivated by running
CASTEP applications in grids, they also offer excellent
opportunities to be applied to other e-science
applications as long as the corresponding lightweight
execution environments can be developed.

Developing lightweight application execution mechanisms in grids

TCP over bandwidth asymmetric networks such as cable TV, asymmetric digital subscriber loop (ADSL) and wireless networks exhibit different characteristics from TCP on symmetric links. A number of techniques have been proposed to address this problem. However, previous research has been largely focused on bulk transfers. This paper investigates the effects of bandwidth asymmetry on Web-like short-lived transfers. A close-form prediction model is presented for TCP transfers over asymmetric links. The Web transfer model is then derived from it. Simulations based on ns-2 show that the model can give predictions for TCP transfers with a high degree of accuracy

ModellingWeb transfer Performance over Asymmetric Networks

The processing of massive small files is a challenge in the design of distributed file systems. Currently, the combined-block-storage approach is prevalent. However, the approach employs traditional file systems like ExtFS and may cause inefficiency for random access to small files. This paper focuses on optimizing the performance of data servers in accessing massive small files. We present a Flat Lightweight File System (iFlatLFS) to manage small files, which is based on a simple metadata scheme and a flat storage architecture. iFlatLFS aims to substitute the traditional file system on data servers that are mainly used to store small files, and it can greatly simplify the original data access procedure. The new metadata proposed in this paper occupies only a fraction of the original metadata size based on traditional file systems. We have implemented iFlatLFS in CentOS 5.5 and integrated it into an open source Distributed File System (DFS), called Taobao FileSystem (TFS), which is developed by a top B2C service provider, Alibaba, in China and is managing over 28.6 billion small photos. We have conducted extensive experiments to verify the performance of iFlatLFS. The results show that when the file size ranges from 1KB to 64KB, iFlatLFS is faster than Ext4 by 48% and 54% on average for random read and write in the DFS environment, respectively. Moreover, after iFlatLFS is integrated into TFS, iFlatLFS-based TFS is faster than the existing Ext4-based TFS by 45% and 49% on average for random read access and hybrid access (the mix of read and write accesses), respectively.

Ligang He

Papers

Optimal dispatching and scheduling for both periodic and aperiodic jobs in cluster

An efficient method for motif discovery in CPU host load

Developing lightweight application execution mechanisms in grids

ModellingWeb transfer Performance over Asymmetric Networks

iFlatLFS: Performance optimization for accessing massive small files