51 research outputs found

    The Center for Component Technology for Terascale Software Simulation (CCTTSS) at Indiana University

    Get PDF
    Final report for the Indiana University portion of the CCTTSS project

    Development of high performance scientific components for interoperability of computing packages

    Get PDF
    Three major high performance quantum chemistry computational packages, NWChem, GAMESS and MPQC have been developed by different research efforts following different design patterns. The goal is to achieve interoperability among these packages by overcoming the challenges caused by the different communication patterns and software design of each of these packages. A chemistry algorithm is hard to develop as well as being a time consuming process; integration of large quantum chemistry packages will allow resource sharing and thus avoid reinvention of the wheel. Creating connections between these incompatible packages is the major motivation of the proposed work. This interoperability is achieved by bringing the benefits of Component Based Software Engineering through a plug-and-play component framework called Common Component Architecture (CCA). In this thesis, I present a strategy and process used for interfacing two widely used and important computational chemistry methodologies: Quantum Mechanics and Molecular Mechanics. To show the feasibility of the proposed approach the Tuning and Analysis Utility (TAU) has been coupled with NWChem code and its CCA components Results show that the overhead is negligible when compared to the ease and potential of organizing and coping with large-scale software applications

    Component metadata management and publication for the grid

    Full text link
    There is growing attention to component-oriented software design of Grid applications. Within this framework, applications are built by assembling together independently developed software components. Two main approaches are commonly used to manage, develop and publish software components: one is based on an Interface Description Language (IDL); the other is typical, for instance, of Java and is based on introspection and design conventions. In this paper, we compare them and we propose a third approach that merges the flexibility and fast learning curve of the latter, with the rigor of the former. Our proposal is meant to help the transition towards more modern tools, which is required to develop versatile Grid applications. © 2005 IEEE
    corecore