Advancing Scientific Discovery through TeraGrid

Laura McGinnis

Project Manager, Pathways to Broadening Participation in TeraGrid

Pittsburgh Supercomputing Center, Carnegie Mellon University

lfm@psc.edu

www.teragrid.org

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)

11 Resource Providers, One Facility

LSU

U Tenn.

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• Computing - over 250 Tflops today and growing

– 400 Tflop system comes on-line in January at TACC– U Tennesee system to come on-line in 2008– Centralized help desk for all resource providers

• Visualization - Remote visualization servers and software• Data

– Allocation of data storage facilities – Over 100 Scientific Data Collections

• Access– Shibboleth testbed to facilitate campus access– Central allocations mechanism

• Human Support– Central point of contact for support of all systems– Advanced Support for TeraGrid Applications (ASTA)– Education and training events and resources– Over 20 Science Gateways

Coupled Simulation:Full Body Arterial Tree Simulation

Karniadakis (Brown)

Virtualized Resources, Ensembles:

FOAM Climate

Model

Liu (UWisc)

Sources: Ian Foster (UC/ANL), Mike Papka (UC/ANL),George Karniadakis (Brown). Images by UC/ANL.

Advanced Support for TeraGrid Applications

Requesting Allocations of Time

• TeraGrid resources are provided for free to academic researchers and educators

• Development Allocations Committee (DAC) for start-up accounts up to 30,000 hours of time are requests processed in two weeks - start-up and courses

• Medium Resource Allocations Committee (MRAC) for requests of up to 500,000 hours of time are reviewed four times a year

• Large Resource Allocations Committee (LRAC) for requests of over 500,000 hours of time are reviewed twice a year

25

50

75

100

125

150

175

200

225

250

275

J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J J A S O N D J F M A M J

2004 2005 2006 2007

NU

s (m

illi

on

s)Specific

Roaming

TeraGrid Usage

33% Annual Growth

Specific Allocations Roaming Allocations

200

100

Normalized Units (millions)

TeraGrid currently delivers an average of 420,000 cpu-hours per day -> ~21,000 CPUs DC Dave Hart (dhart@sdsc.edu)

Use ModalityUse ModalityCommunity SizeCommunity Size

(est. number of (est. number of people/projects)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

Grid

-y U

sers

Science GatewaysBroadening Participation in 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.

Technical Approach

Biomedical and Biology, Building Biomedical Communities

OG

CE

Sc

ien

ce

Po

rta

l

OGCE Portletswith ContainerOGCE Portletswith Container

Apache JetspeedInternal ServicesApache JetspeedInternal Services

ServiceAPI

ServiceAPI

GridProtocols

GridServiceStubs

GridServiceStubs

RemoteContentServices

RemoteContentServices

RemoteContentServersHTTP

GridService

s

Java

Co

G K

it

LocalPortal

Services

LocalPortal

Services

Grid Resources

Open Source Tools

Build standard portals to meet the domain requirements of the biology communitiesDevelop federated databases to be replicated and shared across TeraGrid

Workflow Composer

Source: Dennis Gannon (gannon@cs.indiana.edu)

Gateways are Expanding• 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)

TeraGrid as a Social Network

• Annual TeraGrid conference - TeraGrid ‘08 - Las Vegas - June

• LRAC/MRAC liaisons• SGW community very successful

– Transitioning to consulting model

• 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

SC 07-09 Education Program Goals

• Multi-year, year-long, Education Program to provide continuity and broader, sustained impact in education

• Increase participation of larger, more diverse communities in the SC Conference– Faculty, students, international, under-represented

• Integrate HPC into undergraduate science, technology, engineering and mathematics classrooms

• Significantly expanded digital libraries of resources for teaching and learning

• Sponsors: ACM, IEEE, NCSI, CSERD, Intel, Wolfram Research, TeraGrid

“HPC University”• 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

http://cidays.org

For More Information

www.teragrid.org www.computationalscience.org www.s-education.org

www.nsdl.orgcserd.nsdl.org

www.nsf.gov/oci/http://cidays.org

lathrop@mcs.anl.govlfm@psc.edu