New Science Gateways for Advanced Computing Simulations and Visualization Using Vine Toolkit in PL-Grid

A Science Gateway is a connection between scientists and their computational tools in the form of web portal. It creates a space for communities, collaboration and data sharing and visualization in a comprehensive and efficient manner. The main purpose of such a solution is to allow users to access the computational resources, process and analyze their data and get the results in a uniform and user friendly way. In this paper we propose a complex solution based on the Rich Internet Application (RIA) approach consisting of a web portal powered by Vine Toolkit with Adobe Flex/BlazeDs technologies. There are two Science Gateways described in detail one for engineers to manage computationally intensive workflows used in advanced airplane construction simulations, and one for nanotechnology scientists to manage experiments in nano-science field calculated with Density Functional Theory (DFT). In both cases the results show how modern web solution can help scientists in their work. &nbsp

THE EXTENSION OF TORQUE SCHEDULER ALLOWING THE USE OF PLANNING AND OPTIMIZATION IN GRIDS

In this work we present a major extension of the open source TORQUE Resource Manager system. We have replaced a naive scheduler provided in the TORQUE distribution with complex scheduling system that allows to plan job execution ahead and predict the behavior of the system. It is based on the application of job schedule, which represents the jobs’ execution plan. Such a functionality is very useful as the plan can be used by the users to see when and where their jobs will be executed. Moreover, created plans can be easily evaluated in order to identify possible inefficiencies. Then, repair actions can be taken immediately and the inefficiencies can be fixed, producing better schedules with respect to considered criteria

Approaching parallel computing to simulating population dynamics in demography

Agent-based modelling and simulation is a promising methodology that can be applied in the study of population dynamics. The main advantage of this technique is that it allows representing the particularities of the individuals that are modeled along with the interactions that take place among them and their environment. Hence, classical numerical simulation approaches are less adequate for reproducing complex dynamics. Nowadays, there is a rise of interest on using distributed computing to perform large-scale simulation of social systems. However, the inherent complexity of this type of applications is challenging and requires the study of possible solutions from the parallel computing perspective (e.g., how to deal with fine grain or irregular workload). In this paper, we discuss the particularities of simulating populating dynamics by using parallel discrete event simulation methodologies. To illustrate our approach, we present a possible solution to make transparent the use of parallel simulation for modeling demographic systems: Yades tool. In Yades, modelers can easily define models that describe different demographic processes with a web user interface and transparently run them on any computer architecture environment thanks to its demographic simulation library and code generator. Therefore, transparency is provided by by two means: the provision of a web user interface where modelers and policy makers can specify their agent-based models with the tools they are familiar with, and the automatic generation of the simulation code that can be executed in any platform (cluster or supercomputer). A study is conducted to evaluate the performance of our solution in a High Performance Computing environment. The main benefit of this outline is that our findings can be generalized to problems with similar characteristics to our demographic simulation model

Putting the User at the Centre of the Grid: Simplifying Usability and Resource Selection for High Performance Computing

Computer simulation is finding a role in an increasing number of scientific disciplines, concomitant with the rise in available computing power. Realizing this inevitably re- quires access to computational power beyond the desktop, making use of clusters, supercomputers, data repositories, networks and distributed aggregations of these re- sources. Accessing one such resource entails a number of usability and security prob- lems; when multiple geographically distributed resources are involved, the difficulty is compounded. However, usability is an all too often neglected aspect of computing on e-infrastructures, although it is one of the principal factors militating against the widespread uptake of distributed computing. The usability problems are twofold: the user needs to know how to execute the applications they need to use on a particular resource, and also to gain access to suit- able resources to run their workloads as they need them. In this thesis we present our solutions to these two problems. Firstly we propose a new model of e-infrastructure resource interaction, which we call the user–application interaction model, designed to simplify executing application on high performance computing resources. We describe the implementation of this model in the Application Hosting Environment, which pro- vides a Software as a Service layer on top of distributed e-infrastructure resources. We compare the usability of our system with commonly deployed middleware tools using five usability metrics. Our middleware and security solutions are judged to be more usable than other commonly deployed middleware tools. We go on to describe the requirements for a resource trading platform that allows users to purchase access to resources within a distributed e-infrastructure. We present the implementation of this Resource Allocation Market Place as a distributed multi- agent system, and show how it provides a highly flexible, efficient tool to schedule workflows across high performance computing resources