April 2006 Science Gateways on the TeraGrid Nancy Wilkins-Diehr Area Director for Science Gateways San Diego Supercomputer Center

April 2006 Today’s Outline What are Gateways? Why TeraGrid and Gateways? Initial Strategy Implementation Details –Issues to address when using TG Future growth – Gateways and still more gateways –Talk to me about how to make use of TeraGrid resources for your work

April 2006 TeraGrid Objectives DEEP Science: Enabling Terascale Science –Make Science More Productive through an integrated set of very-high capability resources. WIDE Impact: Empowering Communities –Bring TeraGrid capabilities to the broad science community. OPEN Infrastructure, OPEN Partnership –Provide a coordinated, general purpose, reliable set of services and resources.

April 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

April 2006 Science Gateway Examples As well as additional gateway projects that have joined us or are planning to join, including… University of Buffalo, BIRN,NEES, GEON, Several NCAR projects, Cornell (large data collections), LSU (coastal modeling), IU Hydra Portal

April 2006 Initial Focus on 10 Gateways Science Gateway PrototypeDisciplineScience Partner(s)TeraGrid Liaison Linked Environments for Atmospheric Discovery (LEAD) AtmosphericDroegemeier (OU)Gannon (IU), Pennington (NCSA) National Virtual Observatory (NVO) AstronomySzalay (Johns Hopkins)Williams (Caltech) Network for Computational Nanotechnology (NCN) and “nanoHUB” NanotechnologyLundstrum (PU)Goasguen (PU) Open Life Sciences GatewayBiomedicine and BiologySchneewind (UC), Osterman (Burnham/UCSD), DeLong (MIT), Dusko (INRA) Stevens (UC/Argonne) Biology and Biomedical Science Gateway Biomedicine and BiologyCunningham (Duke), Magnuson (UNC) Reed (UNC), Blatecky (UNC) Neutron Science Instrument Gateway PhysicsCobb (ORNL) Grid Analysis EnvironmentHigh-Energy PhysicsNewman (Caltech)Bunn (Caltech) Transportation System Decision Support Homeland SecurityStephen Eubanks (LANL)Beckman (Argonne) Groundwater/Flood ModelingEnvironmentalWells (UT-Austin), Engel (ORNL)Boisseau (TACC) Science Grid [GrPhyN/ivDGL/Grid3] MultiplePordes (FNAL), Huth (Harvard), Avery (Uflorida) Foster (UC/Argonne), Kesselman (USC- ISI), Livny (UW)

April 2006 National Virtual Observatory Facilitating Scientific Discovery Astronomy is increasingly a data-rich science New science enabled by enhancing access to data and computing resources Ease of use in locating, retrieving, and analyzing data from archives and catalogs worldwide NVO is a set of tools used to exploit the data avalanche

April 2006 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.

April 2006 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

April 2006 spruce.teragrid.org Special Priority and Urgent Computing Environment

April 2006 Biomedical and Biology Gateway –Building Biomedical Communities – Dan Reed (RENCI) National Evolutionary Synthesis Center Carolina Center for Exploratory Genetic Analysis –Portals and federated databases for the Biomed research community

April 2006 The RENCI Bioportal 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 Tutorial with John McGee Friday afternoon!

April 2006 Linked Environments for Atmospheric Discovery LEAD Providing tools that are needed to make accurate predictions of tornados and hurricanes Data exploration and Grid workflow

April 2006 Any tornadoes in Montana today? Try your hand at atmospheric simulation on the TeraGrid with Marcus Christie at Friday afternoon’s hands-on session

April 2006 So how will we meet all these needs? With RATS! (Requirements Analysis Teams) Collection, analysis and consolidation of requirements to jump start the work –Interviews with 10 Gateways –Common user models, accounting needs, scheduling needs Summarized requirements for each TeraGrid working group –Accounting, Security, Web Services, Software Areas for more study identified Primer outline for new Gateways in progress And milestones

April 2006 Implications for TeraGrid working groups 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)

April 2006 Gateways Primer Outline 1. Introduction 2. Science Gateway in Context a. Science Gateway (SGW) Definition(s) b. Science Gateway user modes c. Distinction between SGW and other TeraGrid user modes 3. Components of a Science Gateway a. User Model b. Gateway targeted community c. Gateway Services d. Integration with TeraGrid external resources (data collections, services, …) e. Organizational and administrative structure 4. TeraGrid services and policies available for Science Gateways a. Portal middleware tools (user portal and other portal tools) b. Account Management (user models, community accounts, ) c. Security environment (security models) d. Web Services e. Scheduling services (and meta-scheduling) f. Community accounts and allocations g. Community Software Areas h. All traditional TeraGrid services and resources i. Ability to propose additional services and how that would interact with TeraGrid operations 5. Responsibilities and Requirements for Science Gateways a. Interaction with and compatibility with TeraGrid communities b. Control procedures i. Community user identification and tracking (map TeraGrid usage to Portal user) ii. Use monitoring and reporting iii. Security and trust iv. Appropriate use 6. How to get started a. Existing resources i. Publication references ii. Web areas with more details iii. Online tutorials iv. Upcoming presentations and tutorials b. Who to contact for initial discussions c. How to propose a new Gateway d. How to integrate with TeraGrid Gateways efforts. e. How to obtain a resource allocation

April 2006 Want to be involved? We’re always happy to work with new groups Biweekly telecons to get advice from others Talk with the experts Friday afternoon –John McGee, RENCI, Bioportal –Marcus Christie, Indiana U, LEAD –Ivan Judson, Argonne National Lab, Open Life Sciences Gateway me –Nancy Wilkins-Diehr, –