October 2007 TeraGrid : Advancing Scientific Discovery and Learning Diane A. Baxter, Ph.D. Education Director San Diego Supercomputer Center University of California, San Diego With thanks to Charlie Catlett, Scott Lathrop, Nancy Wilkins-Diehr, and Jeff Sale

What is the TeraGrid? A unique combination of fundamental CI components

SDSC TACC UC/ANL NCSA ORNL PU IU PSC NCAR Caltech USC/ISI UNC/RENCI UW Resource Provider (RP) Software Integration Partner Grid Infrastructure Group (UChicago) NSF-funded facility to offer high end compute, data and visualization resources to the nation’s academic researchers LSU U Tenn. 11 Resource Providers – One Facility

TeraGrid resources include... Computing - over 300 Tflops today and growing –400 Tflop system comes on-line in January 2008 at TACC –U Tennesee system to come on-line later in 2008 –Centralized help desk for all resource providers Visualization - Remote visualization servers and software Data Petabytes of Storage –Allocation of data storage facilities –Over 100 Scientific Data Collections Access – Dedicated Cross-country Network –Shibboleth testbed to facilitate campus access –Central allocations mechanism Human Support –Advanced Support for TeraGrid Applications (ASTA) –Education and training events and resources –Over 20 Science Gateways

TeraGrid Objectives DEEP Science: Enabling Petascale Science –Make science more productive through an integrated set of very-high capability resources Address key challenges prioritized by users WIDE Impact: Empowering Communities –Bring TeraGrid capabilities to the broad science community Partner with science community leaders - “Science Gateways” OPEN Infrastructure, OPEN Partnership –Provide a coordinated, general purpose, reliable set of services and resources Partner with campuses and facilities

TeraGrid Resources Available for all Domain Scientists At no cost to them! Integrated, persistent, pioneering resources Significantly improve the ability and capacity to gain new insights into the most challenging research questions and societal problems Peer-reviewed, proposal-based access –Targeted support available as well Dedicated staff investment to really make a difference on complex problems –Transformational science –Must have PI commitment –Make lessons learned available for all Nancy Wilkins-Diehr

How to use the TeraGrid resources Free to academic researchers and educators Development Allocations Committee (DAC) –for start-up and course accounts –up to 30,000 hours of time –requests processed in two weeks Medium Resource Allocations Committee (MRAC) –30,000 to 500,000 hours of time –Reviewed four times a year Large Resource Allocations Committee (LRAC) –Over 500,000 hours of time –Applications reviewed twice a year

Compute Cycles Delivered Normalized Units (millions) TeraGrid Usage ~50% Annual Growth Specific AllocationsRoaming Allocations TeraGrid currently delivers an average of 420,000 cpu-hours per day -> ~21,000 DC every hour Source: Dave Hart Nancy Wilkins-Diehr

August 2007 How is TG used? Community Size (est. number of people/projects) Batch Computing on Individual Resources 850 Exploratory and Application Porting 650 Workflow, Ensemble, and Parameter Sweep 160 Science Gateway Access 100 Remote Interactive Steering and Visualization 35 Tightly-Coupled Distributed Computation 10 TeraGrid Usage Modes in CY2006

TeraGrid’s 3-part strategy to further science DEEP Science: Enabling Petascale Science –Make science more productive through an integrated set of very- high capability resources Advanced Support for TeraGrid Applications (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

Science Gateways are a Natural Extension of Internet Developments 3 common types of gateway –Web portal with users in front and services in back –Client server model where application programs running on users' machines (i.e. workstations and desktops) and accesses services –Bridges across multiple grids, allowing communities to utilize both community developed grids and shared grids Continued rapid changes ahead, must be adaptable, gateways can provide some nimbleness Nancy Wilkins-Diehr

Gateway Idea Resonates with Scientists Capabilities provided by the Web are easy to envision because we use them in every day life Researchers can imagine scientific capabilities provided through a familiar interface Gateways are designed by communities and provide interfaces understood by those communities –Add access to greater capabilities on the back end without the user needing to understand the details of those capabilities –Scientists know they can undertake more complex analyses and that’s all they want to focus on But this seamless access doesn’t come for free. It all hinges on very capable developers Nancy Wilkins-Diehr

August 2007 Science Gateways Broaden Participation in TeraGrid through: Increasing investment by research communities in their own cyberinfrastructure, but include heterogeneous: Resources Users – from expert to K-12 Software stacks, policies Science Gateways Approach –Provides “TeraGrid Inside” capabilities –Leverages community investment Versatility: User communities choose the form that best fits their needs: –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 Source: Dennis Gannon

August 2007 Gateways are growing in numbers 10 initial projects as part of TG proposal >20 Gateway projects today No limit to # of gateways to TG resources 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)

TeraGrid as a Social Network Annual TeraGrid conference - TeraGrid ‘08 - Las Vegas - June LRAC/MRAC liaisons Science Gateway (SG) community evolution –Transition from development teams to consultants for new community members. CI Days - campus outreach –OSG/Internet2/NLR/EDUCAUSE/ MSI-CIEC partnership HPC University – OSG, Shodor, Krell, OSC, NCSI, MSI-CIEC partnership Education and Outreach –Engaging thousands of people

August 2007 “ HPC University” Objectives Advance researchers’ HPC skills –Catalog of live and self-paced training –Schedule series of training courses –Gap analysis of materials to drive development Work with educators to enhance the curriculum –Search catalog of HPC resources –Schedule workshops for curricular development –Leverage good work of others Offer Student Research Experiences –Enroll in HPC internship opportunities –Offer Student Competitions Publish Science and Education Impact –Promote via TeraGrid Science Highlights, iSGTW –Publish education resources to NSDL-CSERD

Broadening Participation in TeraGrid Broaden awareness of TeraGrid – Campus Visits (coupled with CI Days) – Professional Society Meetings – Develop promotional materials Build human capacity for Terascale research – In-depth consulting (5-8 consultants) – TeraGrid Fellowship Program for faculty and students – Mentoring Program – Campus Champions Enhance the usability and access of TG via SGs – Assess Science Gateway readiness and community requirements – Develop replicable strategies for integrating TeraGrid resources into SGs, with an emphasis on under-served community needs

CI Days Working with campuses to take a leadership role applying CI to accelerate scientific discovery First event held at UC Davis has helped catalyze campus-wide discussions and planning Collaboration of Open Science Grid, Internet 2, National Lamda Rail, EDUCAUSE, Minority Serving Institution Cyberinfrastructure Empowerment Coalition, TeraGrid, and local and regional organizations Campus Champions Program

Cyberinfrastructure Functions and Resources Instrumentation Security Control Data Generation Computation Analysis Simulation Program Security Management Security and Access Authentication Access Control Authorization Researcher Control Program Viewing Security 3D Imaging Display and Visualization. Display Tools Security Data Input Collab Tools Publishing Human Support Help Desk Policy and Funding Resource Providers Funding Agencies Campuses Search Data Sets Storage Security Retrieval Input Schema Metadata Data Directories Ontologies Archive Education And Outreach Network Training

August 2007 For More Information cserd.nsdl.org

Thank you! August 2007