1. SAN DIEGO SUPERCOMPUTER CENTER Science Gateways on the TeraGrid Nancy Wilkins-Diehr TeraGrid Area Director for Science Gateways SDSC Director of Consulting, Documentation, Training San Diego Supercomputer Center wilkinsn@sdsc.edu

2. SAN DIEGO SUPERCOMPUTER CENTER Hope you have had a productive week in San Diego

3. SAN DIEGO SUPERCOMPUTER CENTER TeraGrid Science Gateways What is TeraGrid? What are Science Gateways? Why TeraGrid and Gateways? How Does This Help Me?

4. SAN DIEGO SUPERCOMPUTER CENTER TeraGrid: Integrating NSF Cyberinfrastructure SDSC TACC UC/ANL NCSA ORNL PU IU PSC TeraGrid is a facility that integrates computational, information, and analysis resources at the San Diego Supercomputer Center, the Texas Advanced Computing Center, the University of Chicago / Argonne National Laboratory, the National Center for Supercomputing Applications, Purdue University, Indiana University, Oak Ridge National Laboratory, the Pittsburgh Supercomputing Center, and the National Center for Atmospheric Research. NCAR Caltech USC-ISI Utah Iowa Cornell Buffalo UNC-RENCI Wisc

5. SAN DIEGO SUPERCOMPUTER CENTER TeraGrid Vision TeraGrid will create integrated, persistent, and pioneering computational resources that will significantly improve our nation’s ability and capacity to gain new insights into our most challenging research questions and societal problems. –Our vision requires an integrated approach to the scientific workflow including obtaining access, application development and execution, data analysis, collaboration and data management. 20 compute platforms –10 at or above 10 Tflops 1 Pbyte of online disk Data collection hosting Remote visualization Single application process

6. SAN DIEGO SUPERCOMPUTER CENTER TeraGrid PI’s By Institution as of May 2006 TeraGrid PI’s Blue: 10 or more PI’s Red: 5-9 PI’s Yellow: 2-4 PI’s Green: 1 PI

7. SAN DIEGO SUPERCOMPUTER CENTER Gateways are part of TeraGrid’s 3-pronged strategy to further science DEEP Science: Enabling Terascale Science –Make science more productive through an integrated set of very- high capability resources ASTA projects WIDE Impact: Empowering Communities –Bring TeraGrid capabilities to the broad science community Science Gateways OPEN Infrastructure, OPEN Partnership –Provide a coordinated, general purpose, reliable set of services and resources Grid interoperability working group

8. SAN DIEGO SUPERCOMPUTER CENTER Science Gateways A new initiative for the TeraGrid Increasing investment by communities in their own cyberinfrastructure, but heterogeneous: Resources Users – from expert to K-12 Software stacks, policies Science Gateways –Provide “TeraGrid Inside” capabilities –Leverage community investment Three common forms: –Web-based Portals –Application programs running on users' machines but accessing services in TeraGrid –Coordinated access points enabling users to move seamlessly between TeraGrid and other grids. Workflow Composer

9. SAN DIEGO SUPERCOMPUTER CENTER Initial Focus on 10 Gateways

10. SAN DIEGO SUPERCOMPUTER CENTER What Did We Learn About Common Gateway Requirements? Accounting –Support for accounts with differing capabilities –Ability to associate compute job to a individual portal user –Scheme for portal registration and usage tracking –Support for OSG’s Grid User Management System (GUMS) –Dynamic accounts Security –Community account privileges –Need to identify human responsible for a job for incident response –Acceptance of other grid certificates –TG-hosted web servers, cgi-bin code Web Services –Initial analysis completed 12/05 –Some Gateways (LEAD, Open Life Sciences) have immediate needs –Many will build on capabilities offered by GT4, but interoperability could be an issue –Web Service security –Interfaces to scheduling and account management are common requirements Software –Interoperability of software stacks between TG and peer grids –Software installations for gateways across all TG sites –Community software areas –Management (pacman, other options)

11. SAN DIEGO SUPERCOMPUTER CENTER Gateways are growing in numbers 10 initial projects as part of TG proposal >20 Gateway projects today No limit on how many gateways can use TG resources –Prepare services and documentation so developers can work independently Open Science Grid (OSG) Special PRiority and Urgent Computing Environment (SPRUCE) National Virtual Observatory (NVO) Linked Environments for Atmospheric Discovery (LEAD) Computational Chemistry Grid (GridChem) Computational Science and Engineering Online (CSE- Online) GEON(GEOsciences Network) Network for Earthquake Engineering Simulation (NEES) SCEC Earthworks Project Network for Computational Nanotechnology and nanoHUB GIScience Gateway (GISolve) Biology and Biomedicine Science Gateway Open Life Sciences Gateway The Telescience Project Grid Analysis Environment (GAE) Neutron Science Instrument Gateway TeraGrid Visualization Gateway, ANL BIRN Gridblast Bioinformatics Gateway Earth Systems Grid Astrophysical Data Repository (Cornell) Many others interested –SID Grid –HASTAC

12. SAN DIEGO SUPERCOMPUTER CENTER GEON The goal of GEON is –to advance the field of geoinformatics and –to prepare and train current and future generations of geoscience researchers, educators, and practitioners in the use of cyberinfrastructure to further their research, education, and professional goals. Geoinformatics will foster new interdisciplinary research, for example –the gravity modeling of 3D geological features, such as plutons –the study of active tectonics by integrating LiDAR data and geodynamics models –the study of lithospheric structure and properties across diverse tectonic environments.

13. SAN DIEGO SUPERCOMPUTER CENTER Southern California Earthquake Center Philip Maechling SCEC IT Architect Involves 500+ scientists at 55 institutions worldwide Focuses on earthquake system science using Southern California as a natural laboratory Translates basic research into practical products for earthquake risk reduction SCEC Focus Groups

14. SAN DIEGO SUPERCOMPUTER CENTER SCEC/CME Project Goal: To develop a cyberinfrastructure that can support system-level earthquake science – the SCEC Community Modeling Environment (CME) Support: 5-yr project funded by the NSF/ITR program under the CISE and Geosciences Directorates Oct 1, 2001 – Sept 30, 2006 SCEC/ITR Project NSF CISE GEO SCEC Institutions IRIS USGSISI SDSC Information Science Earth Science www.scec.org/cme

15. SAN DIEGO SUPERCOMPUTER CENTER Outline SCEC Earthworks Science Gateway goal is to allow users to run wave propagation simulations. Seismological Researchers Grad Students Public Interest in resulting data products Many of these target users are not used to using high performance computing.

16. SAN DIEGO SUPERCOMPUTER CENTER SCEC Earthworks Science Gateway Basic Capabilities: Configure earthquake wave propagation simulations. Submit simulation for execution as workflow. Workflow executes across distributed grid environment including –SCEC, USC HPCC, and TeraGrid Monitoring of workflow status Data products registered with metadata into digital library Data discovery tools using metadata searches Data Retrieval for data products of interest

17. SAN DIEGO SUPERCOMPUTER CENTER SCEC Earthworks Science Gateway

18. SAN DIEGO SUPERCOMPUTER CENTER NCAR Earth System Grid Science Gateway for climate research ESG originally a distributed data management/access system but it has evolved into more. User registration, authorization controls, and metrics tracking CCSM model source, initialization datasets, post-processing codes, and analysis and visualization tools. Prototypes of model- submission environments –Eventually real-time tracking of model status along with references to available output datasets. Expect to see more model runs at higher- resolution and with greater component scope.

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24. Linked Environments for Atmospheric Discovery LEAD Providing tools that are needed to make accurate predictions of tornados and hurricanes Meteorological data Forecast models Analysis and visualization tools Data exploration and Grid workflow

25. SAN DIEGO SUPERCOMPUTER CENTER NanoHub Harnesses TeraGrid for Education Nanohub is used to complete coursework by undergraduate and graduate students in dozens of courses at 10 universities. Currently serves over 1000 users.

26. SAN DIEGO SUPERCOMPUTER CENTER NanoHUB Middleware infrastructure Campus Grids Purdue, GLOW Grid Capability Computing Science Gateway Workspaces Research apps Virtual backends Virtual Cluster with VIOLIN VM Capacity Computing nanoHUB VO Middleware

27. SAN DIEGO SUPERCOMPUTER CENTER Biomedical and Biology Gateway Led by Dan Reed, Renaissance Computing Institute, North Carolina Supports –Distributed collaboration –Multi-site data access –Computational tools for local or remote execution –Grid and cluster interoperability Will provides access to –Common sequence and protein structure databases –Over 140 software packages

28. SAN DIEGO SUPERCOMPUTER CENTER Would development of a gateway help your research? gateways@teragrid.org mailing listgateways@teragrid.org –Email majordomo@teragrid.orgmajordomo@teragrid.org – in body Biweekly telecons to get advice from others. Current focus –Gateway documentation –GRAM auditing fully tested –Community account policies –TG-provided web service interfaces www.teragrid.org –Details about current gateways –Slides from June full day tutorial at TG06 In depth presentations by LEAD, nanoHUB, RENCI, GIScience –Documentation coming soon –Potential integration assistance from TeraGrid staff Nancy Wilkins-Diehr, wilkinsn@sdsc.eduwilkinsn@sdsc.edu

29. SAN DIEGO SUPERCOMPUTER CENTER Thank you for your attention Time for LUNCH!