28 research outputs found

    User Applications Driven by the Community Contribution Framework MPContribs in the Materials Project

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    This work discusses how the MPContribs framework in the Materials Project (MP) allows user-contributed data to be shown and analyzed alongside the core MP database. The Materials Project is a searchable database of electronic structure properties of over 65,000 bulk solid materials that is accessible through a web-based science-gateway. We describe the motivation for enabling user contributions to the materials data and present the framework's features and challenges in the context of two real applications. These use-cases illustrate how scientific collaborations can build applications with their own "user-contributed" data using MPContribs. The Nanoporous Materials Explorer application provides a unique search interface to a novel dataset of hundreds of thousands of materials, each with tables of user-contributed values related to material adsorption and density at varying temperature and pressure. The Unified Theoretical and Experimental x-ray Spectroscopy application discusses a full workflow for the association, dissemination and combined analyses of experimental data from the Advanced Light Source with MP's theoretical core data, using MPContribs tools for data formatting, management and exploration. The capabilities being developed for these collaborations are serving as the model for how new materials data can be incorporated into the Materials Project website with minimal staff overhead while giving powerful tools for data search and display to the user community.Comment: 12 pages, 5 figures, Proceedings of 10th Gateway Computing Environments Workshop (2015), to be published in "Concurrency in Computation: Practice and Experience

    Making QCD Lattice Data Accessible and Organized through Advanced Web Interfaces

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    The Gauge Connection at qcd.nersc.gov is one of the most popular repositories of QCD lattice ensembles. It is used to access 16TB of archived QCD data from the High Performance Storage System (HPSS) at the National Energy Research Scientific Computing Center (NERSC). Here, we present a new web interface for qcd.nersc.gov which allows physicists to browse and search the data, as well as download individual files or entire ensembles in batch. Our system distinguishes itself from others because of its ease of use and web based workflow

    Integrating Grid Services into the Cray XT4 Environment

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    ABSTRACT: The 38640 core Cray XT4 "Franklin" syste

    Integrating Grid Services into the Cray XT4 Environment

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    The 38640 core Cray XT4 "Franklin" system at the National Energy Research Scientific Computing Center (NERSC) is a massively parallel resource available to Department of Energy researchers that also provides on-demand grid computing to the Open Science Grid. The integration of grid services on Franklin presented various challenges, including fundamental differences between the interactive and compute nodes, a stripped down compute-node operating system without dynamic library support, a shared-root environment and idiosyncratic application launching. In our work, we describe how we resolved these challenges on a running, general-purpose production system to provide on-demand compute, storage, accounting and monitoring services through generic grid interfaces that mask the underlying system-specific details for the end user
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