April 2006

Science Gateways on the TeraGrid

Nancy Wilkins-Diehr

Area Director for Science GatewaysSan Diego Supercomputer Center

wilkinsn@sdsc.edu

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 GatewaysA 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

National Virtual ObservatoryFacilitating 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 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.orgSpecial Priority and Urgent Computing Environment

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 DiscoveryLEAD

•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 Outline1. Introduction2. 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

• Email me– Nancy Wilkins-Diehr, wilkinsn@sdsc.edu– www.teragrid.org