Grid computing solutions for distributed repositories of protein folding and unfolding simulations

The P-found protein folding and unfolding simulation repository is designed to allow scientists to perform analyses across large, distributed simulation data sets. There are two storage components in P-found: a primary repository of simulation data and a data warehouse. Here we demonstrate how grid technologies can support multiple, distributed P-found installations. In particular we look at two aspects, first how grid data management technologies can be used to access the distributed data warehouses; and secondly, how the grid can be used to transfer analysis programs to the primary repositories --- this is an important and challenging aspect of P-found because the data volumes involved are too large to be centralised. The grid technologies we are developing with the P-found system will allow new large data sets of protein folding simulations to be accessed and analysed in novel ways, with significant potential for enabling new scientific discoveries.

Building collaborative environments for advanced computing

Synchronous collaborative systems allow geographically distributed users to form a virtual work environment enabling cooperation between peers and enriching the human interaction. The technology facilitating this interaction has been studied for several years and various solutions can be found at present. In this paper, we discuss our experiences with one such widely adopted technology, namely the Access Grid [1]. We describe our experiences with using this technology, identify key problem areas and propose our solution to tackle these issues appropriately. Moreover, we propose the integration of Access Grid with an Application Sharing tool, developed by the authors. Our approach allows these integrated tools to utilise the enhanced features provided by our underlying dynamic transport layer.

P-found: grid-enabling distributed repositories of protein folding and unfolding simulations for data mining

The P-found protein folding and unfolding simulation repository is designed to allow scientists to perform data mining and other analyses across large, distributed simulation data sets. There are two storage components in P-found: a primary repository of simulation data that is used to populate the second component, and a data warehouse that contains important molecular properties. These properties may be used for data mining studies. Here we demonstrate how grid technologies can support multiple, distributed P-found installations. In particular, we look at two aspects: firstly, how grid data management technologies can be used to access the distributed data warehouses; and secondly, how the grid can be used to transfer analysis programs to the primary repositories — this is an important and challenging aspect of P-found, due to the large data volumes involved and the desire of scientists to maintain control of their own data. The grid technologies we are developing with the P-found system will allow new large data sets of protein folding simulations to be accessed and analysed in novel ways, with significant potential for enabling scientific discovery.

A hierarchical distributed approach for mining molecular fragments

Recently, two approaches have been introduced that distribute the molecular fragment mining problem. The first approach applies a master/worker topology, the second approach, a completely distributed peer-to-peer system, solves the scalability problem due to the bottleneck at the master node. However, in many real world scenarios the participating computing nodes cannot communicate directly due to administrative policies such as security restrictions. Thus, potential computing power is not accessible to accelerate the mining run. To solve this shortcoming, this work introduces a hierarchical topology of computing resources, which distributes the management over several levels and adapts to the natural structure of those multi-domain architectures. The most important aspect is the load balancing scheme, which has been designed and optimized for the hierarchical structure. The approach allows dynamic aggregation of heterogenous computing resources and is applied to wide area network scenarios.

Economic models and algorithms for distributed systems

Distributed computing paradigms for sharing resources such as Clouds, Grids, Peer-to-Peer systems, or voluntary computing are becoming increasingly popular. While there are some success stories such as PlanetLab, OneLab, BOINC, BitTorrent, and SETI@home, a widespread use of these technologies for business applications has not yet been achieved. In a business environment, mechanisms are needed to provide incentives to potential users for participating in such networks. These mechanisms may range from simple non-monetary access rights, monetary payments to specific policies for sharing. Although a few models for a framework have been discussed (in the general area of a "Grid Economy"), none of these models has yet been realised in practice. This book attempts to fill this gap by discussing the reasons for such limited take-up and exploring incentive mechanisms for resource sharing in distributed systems. The purpose of this book is to identify research challenges in successfully using and deploying resource sharing strategies in open-source and commercial distributed systems.

A flexible monitoring and notification system for distributed resources

Resource monitoring in distributed systems is required to understand the 'health' of the overall system and to help identify particular problems, such as dysfunctional hardware, a faulty, system or application software. Desirable characteristics for monitoring systems are the ability to connect to any number of different types of monitoring agents and to provide different views of the system, based on a client's particular preferences. This paper outlines and discusses the ongoing activities within the GridRM wide-area resource-monitoring project.

Modelling energy consumption of relay-enabled MAC protocols in ad hoc networks

To enhance the throughput of ad hoc networks, dual-hop relay-enabled transmission schemes have recently been proposed. Since in ad hoc networks throughput is normally related to their energy consumption, it is important to examine the impact of using relay-enabled transmissions on energy consumption. In this paper, we present an analytical energy consumption model for dual-hop relay-enabled medium access control (MAC) protocols. Based on the recently reported relay-enabled distributed coordination function (rDCF), we have shown the efficacy of the proposed analytical model. This is a generalized model and can be used to predict energy consumption in saturated relay-enabled ad hoc networks via energy decomposition. This is helpful in designing MAC protocols for cooperative communications and it is shown that using a relay results not only in a better throughput but also better energy efficiency.

Generating virtual environments to allow increased access to the built environment

The problems encountered by individuals with disabilities when accessing large public buildings is described and a solution based on the generation of virtual models of the built environment is proposed. These models are superimposed on a control network infrastructure, currently utilised in intelligent building applications such as lighting, heating and access control. The use of control network architectures facilitates the creation of distributed models that closely mirror both the physical and control properties of the environment. The model of the environment is kept local to the installation which allows the virtual representation of a large building to be decomposed into an interconnecting series of smaller models. This paper describes two methods of interacting with the virtual model, firstly a two dimensional aural representation that can be used as the basis of a portable navigational device. Secondly an augmented reality called DAMOCLES that overlays additional information on a user’s normal field of view. The provision of virtual environments offers new possibilities in the man-machine interface so that intuitive access to network based services and control functions can be given to a user.

Supporting ad hoc collaborations in peer-to-peer networks

Traditionally, applications and tools supporting collaborative computing have been designed only with personal computers in mind and support a limited range of computing and network platforms. These applications are therefore not well equipped to deal with network heterogeneity and, in particular, do not cope well with dynamic network topologies. Progress in this area must be made if we are to fulfil the needs of users and support the diversity, mobility, and portability that are likely to characterise group work in future. This paper describes a groupware platform called Coco that is designed to support collaboration in a heterogeneous network environment. The work demonstrates that progress in the p development of a generic supporting groupware is achievable, even in the context of heterogeneous and dynamic networks. The work demonstrates the progress made in the development of an underlying communications infrastructure, building on peer-to-peer concept and topologies to improve scalability and robustness.

Verifying and fixing password authentication protocol

Password Authentication Protocol (PAP) is widely used in the Wireless Fidelity Point-to-Point Protocol to authenticate an identity and password for a peer. This paper uses a new knowledge-based framework to verify the PAP protocol and a fixed version. Flaws are found in both the original and the fixed versions. A new enhanced protocol is provided and the security of it is proved The whole process is implemented in a mechanical reasoning platform, Isabelle. It only takes a few seconds to find flaws in the original and the fixed protocol and to verify that the enhanced version of the PAP protocol is secure.

Hierarchical composite regular parallel architecture

The design space of emerging heterogenous multi-core architectures with re-configurability element makes it feasible to design mixed fine-grained and coarse-grained parallel architectures. This paper presents a hierarchical composite array design which extends the curret design space of regular array design by combining a sequence of transformations. This technique is applied to derive a new design of a pipelined parallel regular array with different dataflow between phases of computation.

Autonomous execution of tasks by swarm carrier agents in swarm-array computing

How can a bridge be built between autonomic computing approaches and parallel computing system? The work reported in this paper is motivated towards bridging this gap by proposing swarm-array computing, a novel technique to achieve autonomy for distributed parallel computing systems. Among three proposed approaches, the second approach, namely 'Intelligent Agents' is of focus in this paper. The task to be executed on parallel computing cores is considered as a swarm of autonomous agents. A task is carried to a computing core by carrier. agents and can be seamlessly transferred between cores in the event of a pre-dicted failure, thereby achieving self-ware objectives of autonomic computing. The feasibility of the proposed approach is validated on a multi-agent simulator.

Using a RESTful messaging and registry system to support a range a distributed applications

Tycho was conceived in 2003 in response to a need by the GridRM [1] resource-monitoring project for a ldquolight-weightrdquo, scalable and easy to use wide-area distributed registry and messaging system. Since Tycho's first release in 2006 a number of modifications have been made to the system to make it easier to use and more flexible. Since its inception, Tycho has been utilised across a number of application domains including widearea resource monitoring, distributed queries across archival databases, providing services for the nodes of a Cray supercomputer, and as a system for transferring multi-terabyte scientific datasets across the Internet. This paper provides an overview of the initial Tycho system, describes a number of applications that utilise Tycho, discusses a number of new utilities, and how the Tycho infrastructure has evolved in response to experience of building applications with it.