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CyberInfrastructu re at NSF José Muñoz , Ph.D. Office of CyberInfrastructure Deputy Office Director Senior Science Advisor Presented to: iGrid 2005 27 Sep 2005

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CyberInfrastructure at NSF. Presented to: iGrid 2005 27 Sep 2005. Jos é Muñoz , Ph.D. Office of CyberInfrastructure Deputy Office Director Senior Science Advisor. Outline. NSF organizational changes CyberInfrastructure (CI) at NSF New Acquisition Announcement - PowerPoint PPT Presentation

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Page 1: CyberInfrastructure  at NSF

CyberInfrastructure

at NSF

José Muñoz , Ph.D.Office of CyberInfrastructure

Deputy Office DirectorSenior Science Advisor

Presented to:iGrid 2005

27 Sep 2005

Page 2: CyberInfrastructure  at NSF

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Outline

NSF organizational changes CyberInfrastructure (CI) at NSF New Acquisition Announcement NSF’s TeraGrid Effort TeraGrid Examples Summary

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NSF [will provide] world-class computing environments to academic researchers across the complete spectrum of basic research in science and engineering. In addition to raw computational capability, NSF will ensure that these environments include a balanced mix of architecturally diverse computing resources and associated high-end storage and visualization platforms.

Excerpt from Report of the CIIWG May 2005

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Recent Happenings

Office of Cyberinfrastructure (OCI) established

Search for OCI Office Director

Advisory Committee for CI

Agency-wide Strategic Planning Process Underway

CyberInfrastructure Council (CIC) established

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NSFDirector

CISE

CCF CNS IISSCI

OCI

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Education &Training

Data,Data Analysis &

Visualization

Collaboration,Communication

&Remote Access

Cyberinfrastructure Components

High PerformanceComputing

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CI Strategic Planning

Ch. 1: Call to Action

Ch. 2: Strategic Plan for High Performance Computing

Ch. 3: Strategic Plan for Data, Data Analysis & Visualization

Ch. 5: Strategic Plan for Education & Workforce Development

Ch. 4: Strategic Plan for Collaboration, Communication & Remote Access

“CI Vision” document

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Creating a World-Class HPC EnvironmentCreating a World-Class HPC EnvironmentTo Enable Petascale Science and EngineeringTo Enable Petascale Science and Engineering

driven By The Needs Of The Science and driven By The Needs Of The Science and Engineering CommunitiesEngineering Communities

Strategic Plan for High Performance Computing

(FY 2006 – 2010)

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Strategic Plan for High Performance

Computing(2006-2010)

Private Sector

Agency Partners

HPC Resource Providers

S&ECommunity

Portable, Scalable Applications Software &Services

SoftwareService

Provider (SSP)

SSP

SSP

Science-Driven HPC Systems

ComputeEngines

Local Storage Visualization

Facilities

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Acquisition ContextOne or two high performance

computing systems will be acquired from one or more hardware vendors with funds supplied by NSF. 

One or more resource providers (RPs) will manage and operate the system(s), including providing basic user support and services.

Two RFI activities have already been executed: potential resource providers and vendors, application scientists

Formal solicitation announcement from NSF’s Office of CyberInfrastructure by 30Sep05

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Acquisition Strategy

FY06 FY10FY09FY08FY07

Sc

ien

ce a

nd

en

gin

eerin

g

cap

ab

ility

(log

rithm

ic s

cale)

Typical university HPC systems

Track 1 system(s)

Track 2 systems

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TeraGrid (ETF) and HPC

TeraGrid

Provides a Unified User Environment to Support

High-capability, Production-quality CI Services.

• Production HPC is one of several CI service components• Integration of services provided by grid technologies• Distributed, open architecture, sites may join

SSP

SSP

SSP

HPC

World-class HPC EnvironmentFor Petascale Science and

Engineering

• Production HPC is the focus• Portability and scalability addressed in software engineering services• NSF and partner agencies support range of activities

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Courtesy of TeraGrid

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TERAGRID Partners

www.teragrid.org

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Computational Science is no longer a cottage industry

Can we make many computing/data centers behave as one center? Defining accessibility, performance, administration,

policy…

Can national and international resources be integrated with community portals? Seamlessly extending portals built around local resources

What steps can be made towards a national or global cyberinfrastructure? Establishing an extensible technical and cooperative

basis

Courtesy of TeraGrid

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TeraGrid Today: the Extensible Terascale Facility

August 2005 –Phase 2 Begins Science Outreach and

Operations Architectural & Scale

Diversity 13 Partners: adding

UNC, ISI, GaTech, UWisc 16 Systems,

9 Architectures (adding Cray)

$148M over 5 years 138 full time

equivalents

CI Operations, Networking &

Security

Community Engagement:

Science Gateways

User Support Team

Software Integration

Integration Team(Grid Infrastructure Group)

Resource Providers and Facilities

Courtesy of TeraGrid

Page 17: CyberInfrastructure  at NSF

Resource Providers: Resources and Services

Grid Infrastructure Group (GIG)Architecture, Software, Operations, Common Services, Coordinated User Support, Science Gateways

Grid Infrastructure Group (GIG)Architecture, Software, Operations, Common Services, Coordinated User Support, Science Gateways

ANL/UC IU NCSA ORNL PSC Purdue SDSC TACC

ComputeResources

(60 TF)and

User Support

Itanium20.5 TF

IA-320.5 TF

Itanium20.2 TF

IA-322.0 TF

Itanium2 10 TF

SGI SMP6.5 TF

IA-320.3 TF

XT310 TF

TCS 6 TF

Marvel0.3 TF

IA-3211 TF

Hetero 1.7 TF

Itanium24.4 TF

Power4+1.1 TF

IA-326.3 TF

Sun (Vis)

Network(Hub)

30 Gb/sCHI

10 Gb/sCHI

30 Gb/sCHI

10 Gb/sATL

30 Gb/sCHI

10 Gb/sCHI

30 Gb/sLA

10 Gb/sCHI

Online Storage(>3 PB)

20 TB 32 TB 600 TB 1 TB 300 TB 1200 TB 50 TB

Archive Storage(> 15 PB)

1.2 PB 3 PB 2.4 PB 6 PB 2 PB

(90+) Data Collections

Yes Yes Yes Yes Yes

Instruments Yes Yes

Visualization Yes Yes Yes Yes Yes

Communications, EOT

Yes Yes Yes Yes Yes Yes

Courtesy of TeraGrid

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The TeraGrid Strategy

TeraGrid DEEPEnabling terascale science

Make science more productive through a unified set of very-high capability resources.

TeraGrid WIDEEmpowering science communities to leverage

TeraGrid capabilitiesBring TeraGrid capabilities to the broad science community

TeraGrid OPENDriving the evolution of cyberinfrastructure

Interoperation with other Grids and facilitating addition of resources from new partners into the TeraGrid environment

Courtesy of TeraGrid

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User CommunitiesExpert and Advanced Users (100s) Want to log into supercomputers, develop and run applications

Interest in turnaround, can use a variety of platforms

Broad Science Community (1,000s) Want to use applications provided by others to carry out studies

Interest in turnaround and avoiding details of computing and data management

Interest in workflow management tools to automate procedures

Public Access (10,000s, including education) Want to use simple applications for small, possibly fixed, set of jobs

DEEP

WIDE

Courtesy of TeraGrid

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TeraGrid WIDE: What are Science Gateways?

Gateways Enable whole communities to take advantage of TeraGrid resources, Engage science communities that are not traditional users of

supercomputing centers,

by Providing community-tailored access to TeraGrid services and

capabilities.

Models Web-based community Portals employ Grid Services to provide

TeraGrid-deployed applications. Coordinated access points enable users to move seamlessly

between TeraGrid and other grids. Application programs running on users' machines access services in

TeraGrid (and elsewhere).

All take advantage of existing community investment in software, services, education, and other components of Cyberinfrastructure.

Courtesy of TeraGrid

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Challenges in Gateways

Many common needs and issues across Gateways Accounts – support for community accounts Accounting – services to track and audit usage Security – individual, portal or community certificates Scheduling – centralized job management Web Services – standardized interfaces to the above Portal Middleware – integration with available

frameworks Data Access – supporting data collections Servers – for hosting portals within TeraGrid Primer – for Science Gateways

Courtesy of TeraGrid

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Gateways that Bridge to Community GridsMany Community Grids already

exist or are being built NEESGrid, LIGO, Earth Systems

Grid, NVO, Open Science Grid, etc.

TeraGrid will provide a service framework to enable access that is transparent to users The community maintains and

controls the GatewayDifferent communities have

different requirements. NEES and LEAD will use

TeraGrid to provision compute services

LIGO and NVO have substantial data distribution problems

All of them require remote execution of multi-step workflows

Technical Approach

•Develop web services interfaces (wrappers) for existingand emerging bioinformatics tools

• Integrate of collections of tools into Life Science servicebundles that can be deployed as persistent services onTeraGrid resources

• Integration of TG hosted Life Science services withexisting end-user tools to provide scalable analysiscapabilities

Existing User Tools(e.g. GenDB)

Life ScienceGatewayService

Dispatcher

Web ServicesInterfaces forBackendComputing

Life Science Services Bundles

..

..

..

..

TeraGridResource

Partners

On-DemandGrid Computing

StreamingObservations

Forecast Model

Data Mining

Storms Forming

Science Communities and Outreach

• Communities• CERN’s Large Hadron Collider

experiments

• Physicists working in HEP andsimilarly data intensive scientificdisciplines

• National collaborators and thoseacross the digital divide indisadvantaged countries

• Scope• Interoperation between LHC

Data Grid Hierarchy and ETF

• Create and Deploy ScientificData and Services Grid Portals

• Bring the Power of ETF to bearon LHC Physics Analysis: Helpdiscover the Higgs Boson!

• Partners• Caltech

• University of Florida

• Open Science Grid and Grid3

• Fermilab

• DOE PPDG

• CERN

• NSF GriPhyn and iVDGL

• EU LCG and EGEE

• Brazil (UERJ,…)

• Pakistan (NUST, …)

• Korea (KAIST,…)

LHC Data Distribution Model

Courtesy of TeraGrid

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Neutron Science GatewaySpallation Neutron Source, Oak

Ridge National Laboratory• 17 instruments

• Users worldwide get “beam time”

• Need access to their data and post processing capabilities

• Day-1 – April 2006

• First Users – September 2006

• General Users – June 2007

• Opportunity to impact how large facilities are designed

Courtesy of TeraGrid

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Grid Portal Gateways

Workflow Composer

A Portal accessed through a browser or desktop tools Provides Grid authentication and

access to services Provides direct access to TeraGrid

hosted applications as services

Required Support Services Authorization services Application deployment services Searchable metadata catalogs Information space management Workflow managers Resource brokers

Builds on NSF & DOE software Use NMI Portal Framework, GridPort NMI Grid Tools: Condor, Globus, etc. OSG, HEP tools: Clarens, MonaLisa

Courtesy of TeraGrid

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CMS on the TeraGridExperiments for the Large Hadron Collider

(LHC)Compact Muon Solenoid Experiment

PI: Harvey Newman, Caltech

TeraGrid ASTA Team: Tommy Minyard, Edward Walker, Kent Milfeld

• Simulations running simultaneously across multiple TeraGrid sites, SDSC, NCSA and TACC, using grid middleware tool, GridShell

• Complex workflow consisting of multiple execution stages running a large number of serial jobs (~1000s) with very large datasets stored on SDSC HPSS and staged to local sites prior to job runs

• Used 420K CPU hours on TeraGrid systems last year, usage expected to increase this and coming years

CMS experiment is looking for the Higgs particles, thought to be responsible for mass, and to find supersymmetry, a necessary element for String Theory.

Currently running event simulations and reconstructions to validate methods prior to experimental data becoming available.

“Using the NSF TeraGrid for Parametric Sweep CMS Applications”, Proc. Int. Sym. on Nuclear Electronics and Computing (NEC’2005) Sofia, Bulgaria, Sept. 2005 Courtesy of TeraGrid

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Major Major Earthquakes Earthquakes on the San on the San

Andreas Andreas Fault, 1680-Fault, 1680-

presentpresent

19061906M 7.8M 7.8 18571857

M 7.8M 7.816801680M 7.7M 7.7

Incorporate dynamic ruptures into large propagation simulations

First attempt to calculate the physics-based probabilistic hazard curves for Southern California using full waveform modeling

Uses TeraGrid compute and storage resources

PIs: Olsen (SDSU), Okaya (USC)TG ASTA Team: Cui (SDSC), Reddy (GIG)

large-scale simulation of a magnitude 7.7 seismic wave propagation on the San Andreas Fault, generating more than 50 TBs of output

Fundedby NSF GEO/CISE

Such simulations provide potentially immense benefits in saving both many lives and billions in economic losses

22

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Arterial Blood Flow StudiesCross-Site Runs and Computational Steering

on the TeraGridPIs: Karniadakis & Dong (Brown); Boghosian (Tufts)

Develop and optimize infrastructure by Nov. 2005 Job manager and queuing

system Globus and MPICH-G2

installation Performance monitoring and

optimization Real-time performance data

gathering for visualization Various MPICH-G2 porting

efforts Visualization support

First simulation of complete human arterial tree Mar. 2006

Page 28: CyberInfrastructure  at NSF

TeraGrid Usage by Discipline: Jan. 2004 – June 2005

Chemistry21%

Physics15%

Materials5%

Biology26%

Engineering12%

Computer Sci/Eng

7%

Astronomy9%

Geoscience4%

Math1%

So far…So far…

280 PI’s 280 PI’s

550 projects550 projects

~800 users~800 users

42M SUs used42M SUs used~900M Cray X-MP hours~900M Cray X-MP hours

Courtesy of TeraGrid

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TeraGrid Success StoriesLarge Earthquake Impact Models in TeraShake

S-CA model shows directional effects larger than expected [Olsen/Okaya/Minster]

Enhancing Oil Recovery Techniques with IPARS Data-driven optimization employing 4 TeraGrid resources [Wheeler/Saltz/Parashar]

Improving Groundwater Cleanup Decisions Identifies tradeoffs to reduce contamination at less cost [Minsker/Loftus]

Understanding Dark Energy with NVO Comparing astronomical measurements with simulations [Connolly/Scranton]

Analysis of Amphiphilic Liquids in TeraGyroid 2004 ISC Award for Integrated Data and Information Mgt. [Coveney/Boghosian]

Protein Sequence Analysis with GADU/GNARE 2.3M sequences analyzed in 8.8 days [Maltsev]

Identifying Brain Disorders with BIRN Analysis of Hippocampus shapes revealed disease patterns [Miller/Beg]

Courtesy of TeraGrid

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Cyberinfrastructure Vision

NSF will support the development and maintenance of a comprehensive cyberinfrastructure essential to 21st century advances

in science and engineering.

Internet2 Universities206 University Members, May 2005

Internet2 Universities206 University Members, May 2005

Internet2 Universities

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