SC06, Tampa FL November 11-17, 2006 Science Gateways on the TeraGrid Powerful Beyond Imagination! Nancy Wilkins-Diehr TeraGrid Area Director for Science Gateways San Diego Supercomputer Center

SC06, Tampa FL November 11-17, 2006 Questions I Hope to Answer Today What is the TeraGrid? What are Science Gateways? Why TeraGrid and Gateways? Initial Strategy Implementation Details –Issues to address when using TeraGrid Some Gateway Highlights Future growth

SC06, Tampa FL November 11-17, 2006 What is the TeraGrid? NSF-funded facility to offer high end compute, data and visualization resources to the nation’s academic researchers

SC06, Tampa FL November 11-17, 2006 TeraGrid Technology Data 18.8 Petabytes Storage Memory Intensive Resources Computation Visualization 100+ Teraflops Computation 40gigabit/second cross-country network

SC06, Tampa FL November 11-17, 2006 Over 100 Tflops in Computing Power

SC06, Tampa FL November 11-17, 2006 Powerful Remote Visualization Capabilities Maverick UltraSPARC IV –64 UltraSPARC IV processors 256 GB Memory 2 Nodes (128 processors, 512 GB memory) –Unique configuration that has resulted from a joint project between Sun Microsystems and the Texas Advanced Computing Center to provide terascale remote visualization. –Leverages the vast capabilities of Sun’s E25K enterprise server with the addition of commodity graphics UC/ANL's IA-32 TeraGrid Linux Visualization Cluster consists of –96 nodes with dual Intel Xeon 2.4 GHz processors, with 4 GB of memory –nVidia GeFORCE 6600GT AGP graphics card per node. –16 TB local high-performance GPFS, and access to the TeraGrid- wide GPFS-WAN file-system.

SC06, Tampa FL November 11-17, 2006 Extensive Data Collections and Storage Space Data Collections –~100 collections –Wide variety of disciplines – Storage Space –18PB rotating disk –Many PBs archival capacity –220 TB Global filesystem –Collection management software

SC06, Tampa FL November 11-17, 2006 All of These Resources Available to Researchers at No Cost TeraGrid creates integrated, persistent, and pioneering computational resources that significantly improve our nation’s ability and capacity to gain new insights into our most challenging research questions and societal problems. Proposal-based access, researchers can use resources at no cost –Collaborative opportunities, but Principal Investigators must be from the U.S.

SC06, Tampa FL November 11-17, 2006 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

SC06, Tampa FL November 11-17, 2006 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 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

SC06, Tampa FL November 11-17, 2006 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

SC06, Tampa FL November 11-17, 2006 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

SC06, Tampa FL November 11-17, 2006 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 –Dynamic accounts Security –Community account privileges –Need to identify human responsible for a job for incident response –Acceptance of other grid certificates Web Services –Many will build on the Globus Toolkit, but additional interfaces may be needed –Web Service security –Interfaces to scheduling and account management are common requirements Software –Interoperability of software stacks between TeraGrid and peer grids –Software installations for gateways across all TG sites –Community software areas –Management (pacman, other options)

SC06, Tampa FL November 11-17, 2006 Gateway Web Services Needs Interfaces provided by the TeraGrid The list of services that have been identified by the gateways developers includes: –Resource Status Service (both polling and pub/sub) –Job Submission Interface The gateways expect this to be provided by WS-GRAM –Job Tracking Interface (Both polling and pub/sub) –File/Data Staging Interface –Retrieve Usage Information –Retrieve Inca Info –Advanced Reservation Interface –Cross-site Run interface –Pushing DN to an RP interface Interfaces provided by the Gateways The list of services that have been identified by the gateways developers and the TeraGrid Security group includes: –Retrieve user information for a job –Retrieve accounting information/statistics –Provides the necessary means to track down problem job submissions, identify malicious users. Don't submit jobs from the user who submitted job (resource, job id), until we say it's Ok. –The accounting interface requires no information, but returns sufficient accounting information and statistics to report to funding agencies, program managers, etc.

SC06, Tampa FL November 11-17, 2006 National Virtual Observatory Facilitating Scientific Discovery Access to telescope images from around the world NVO provides access to combined sky surveys –Different views of the same cosmological phenomenon can reveal new insights New science enabled by enhancing access to data and computing resources –Data correlation –Understanding of physical processes –Identification of new phenomenon NVO is a set of tools used to exploit the data avalanche

SC06, Tampa FL November 11-17, 2006 NanoHub Harnesses TeraGrid for Education Nanotechnology education Used in dozens of courses at man universities Teaching materials Collaboration space Research seminars Modeling tools Access to cutting edge research software And much more

SC06, Tampa FL November 11-17, 2006 Biomedical and Biology Gateway Renaissance Computing Institute, North Carolina Avalanche of data in biology community –Genomics data, –Proteomics and expression analysis –Need to move beyond current desktop tools Access to –Common sequence and protein structure databases –Over 140 software packages Collaboration infrastructure to engage the best talent regardless of location

SC06, Tampa FL November 11-17, 2006 Linked Environments for Atmospheric Discovery 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

SC06, Tampa FL November 11-17, 2006 spruce.teragrid.org Special Priority and Urgent Computing Environment

SC06, Tampa FL November 11-17, 2006 NCAR Earth System Grid Science Gateway for climate research –Enabling analysis and understanding gained from global Earth System computational models 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.

SC06, Tampa FL November 11-17, 2006 Did I Answer Your Questions? What is the TeraGrid? What are Science Gateways? Why TeraGrid and Gateways? Initial Strategy Implementation Details –Issues to address when using TeraGrid Some Gateway Highlights Future growth

SC06, Tampa FL November 11-17, 2006 Would development of a gateway help your research? Think about your current bottlenecks –What would you like to explore if only you had Lots of disk Lots of compute resources Powerful analysis capabilities A nice interface to information Nancy Wilkins-Diehr,