TeraGrid Science Gateways

TeraGrid Planning Workshop — June 7, 2007

TeraGrid Science Gateways


Project Name• Name, role• Gateway

field/discipline• Start date• Project goals• Number of users

– Current #– Expected #

• Computational requirements

• Measures of success• Interesting tidbit


Linked Environments for Atmospheric Discovery (LEAD)

• Tom Baltzer – Software Engineer - Data, Tools, Testing and Support

• Gateway: LEAD – Meteorology • Start: October 2003• Goals:

– Lowering the barrier for using complex end-to-end weather technologies

– Dynamic Adaptation to Weather

• Number of users– Current # 70 w/accounts– Expected # 100s

• LEAD is data and compute intensive with visualization requirements

• Success is measured by use of LEAD in research and education

• From 1/1/097 to 5/1/07, LEAD participants submitted 6696 jobs, consuming 52925 TG SU's, and generating about 2.6 TB of data


Massive Pulsar Surveys using the Arecibo L-band Feed Array (ALFA)

• Adam Brazier, physicist/programmer

• Astronomy• Project commenced:

January 2007• Project goals: Finding

hundreds of pulsars• Number of users

– Current: 20– Expected: >100

• High end database storage for ~50TB of data products, durable large-scale storage for ~1PB of raw data, intensive processing at multiple sites

• The biggest pulsar survey in history, conducted at the world’s biggest single-dish telescope.


Caltech Science Gateways• Julian Bunn, PI. Senior

Scientist, Caltech• HEP, Astronomy,

Geophysics• 2001• Bring the scientific

analysis power of the Grids (e.g. TeraGrid) to the end user scientist’s computer

• Number of users– Current – a few– Expected – a lot

• Computational requirements – Tens/Hundreds of TeraBytes of storage, powerful front end servers, significant backend, fast networks, clusters/supercomputers

• Measures of success – Uptake by physicists

• Interesting tidbit – Our ideas for science gateways began in 2001 at Caltech, and were funded by NSF in the “CAIGEE” Project


Virtual Laboratory for Earth and Planetary Material

• Cesar da SilvaResearch Associate

• Pedro da SilveiraResearch Specialist

• Field: Geophysics, Physics• Since October, 2004• Goals:

– Computational determination of earth forming materials properties at extreme conditions provides today

– Mostly devoted to distributed workflow management

• Number of user:– Current 10– Expected 3,000

• Computational Requirements: Typical Workflow demands ~1020 Floating Point Operations

Visit: www.vlab.msi.umn.edu

http://www.vlab.msi.umn.edu/


CSE-Online• Xiuyi Fan, Graduate Student,

Developer (Grid Access & Computation Resource Management)

• Discipline: Chemistry– Generic platform

• Project began: 2003– Grid enabled: June 2006– First official public release: March

2007• Project goals

– Building a sustainable end-to-end cyber-ecosystem that will empower individuals to advance knowledge in computational molecular science and enable increased efficacy in the scientific discovery process.

– Current Focus: Education

• Number of users– Current Num: 500+– Expected Num (in Five Years) :

Thousands• Computational Requirements

– Support a large number of concurrent access

– System availability• Measures of Success

– Number of users– Number of jobs submitted– Number of courses taught using

our tools


Biomedical Informatics Research Network (BIRN)

• Jeffrey S. Grethe, Ph.D.– Scientific Coordinator, BIRN-CC

• Gateway field/discipline: Biomedicine

• Start date: 2001• Project goals: The BIRN is a

geographically distributed virtual community of shared resources offering tremendous potential to advance the diagnosis and treatment of disease by enhancing communication and collaboration across research disciplines.

• Number of users– Current: 442– Expected: Expected to continue to

increase

• Computational requirements: Due to the variety of analyses and research being conducted data transfer, large data size, large number of processing cycles are all requirements

• Measures of success: Science being accomplished. Other metrics tracked include: number of users, amount of data distributed across sites, analyses performed, etc…

• Interesting tidbit: Important clinical findings have already resulted from BIRN research on TeraGrid. BIRN is the largest production Grid being funded by NIH.


Telescience• Jeffrey S. Grethe, Ph.D. • Imaging and remote control of

bio-imaging instruments• Start Date: 1995• Project goals: The Telescience

methodology integrates resources, technologies, and applications using standardized Grid middleware technologies and advanced networking to provide an end-to-end solution for challenges like multi-scale biomedical imaging.

• Number of users– Current: 136

• Computational Requirements: specimen degradation requires quick turn around of processing to enable results while experiment is on-going.

• Measures of success: science being accomplished

• Telecontrol of Ultra-High Voltage Electron Microscope at Osaka Univ. The most important advantage of the 3 MV UHVEM is the remarkable increases of the maximum observable thickness of specimens


TeraGrid Visualization Gateway• Joe Insley, lead

developer• Visualization for all

scientific disciplines• August 2005

(conceptually)• Provide users with simple

access to visualization resources and services

• Number of users– Currently a handful– Expect many (10s, 100s?)

• Computational requirements: Yes to all the above: data, compute and vis intensive; collaborative and distributed

• Measures of success: no tangible metrics at this point

• Making use of dynamic accounts for community users


nanoHUB• Gerhard Klimeck• Disciplines: Nano-(electronics,

mechanics, bio)– Mostly computation, some data

• History– 1994: PUNCH - 1000 users– 2002: NCN, funded by NSF – 2005: Rappture (interactive

apps!!!)– ‘05 In-VIGO, ‘06 Narwhal, ’07

Maxwell

• Goals– Simulation before building– Serve a population underserved

by modeling and simulation:• Experimentalists / educators /

students• Experts in related / other fields• Enable HPC simulation for

masses

• Current (Future) User Numbers:– >5,000 (>25,000) simulation

users50% in USA, 80% in academia9% of all .edu in USA

– >23,000 (>100,000) total users

• Computational requirements:– Most users: rapid ‘what if’

questions => moderate CPU load, 100-1,000CPUs

– Heavy users – TBD, some million SUs

• Metrics:– Change mode of operation– Citations, quotes, user/usage

numbers


My WorkSphere – TeraGrid Science Gateways for Multiscale Modeling and Integrative Biology

• Wilfred Li, Executive Director, NBCR

• Integrative Biology/Multiscale Modeling

• Aug 31, 2006• Transparent Access to Grid

Resources for biomedical researchers, with increasing emphasis on translational research support

• Number of users– Current 50 registered– Expect to have ~1000– Reproducible infrastructure, so

actual users may be more

http://nbcr.net/

• Computational requirements– Still in prototype stage– Expect to leverage TG for

applications such as Continuity, APBS, SMOL, 3DMyocyte, in addition to other MD applications

– Job types vary from low latency network requirement to serial applications

• Measures of success– Active users– Scientific publications– Adoption of infrastructure

• Interesting tidbit– Use of metascheduler- Gfarm,

CSF4– International collaborations,

leverage of PRAGMA Grid– Avian flu N1 Simulation that

utilized the TeraGrid


SCEC Earthworks Science Gateway• Philip Maechling – IT

Architect/Project Manager

• Seismic Hazards/Earthquake Processes

• Robust, Verified, Regional Scale Earthquake Wave Propagation Simulations

• Number of users– Current 10– Expected 200

• Multi-step computational processes including parallel computation and visualization.

• Calculated seismograms match observed seismograms. System is used in graduate work. System produces images and animations for every Ml4.0 and larger in Southern California.

• System has been used to run earthquake simulations for British Columbia

TeraGrid Planning Workshop — June 7, 2007TeraGrid Planning Workshop — June 7, 2007

Geosciences Network (GEON)• Ashraf Memon, Chief

Software Engineer• Geoscience

Network/Earth Science

• October 2002• Create collaborative

space for geosciences to share and integrated resources

• Number of users– Current # 1448– Expected # 10000

• Need tera-scale computing for computing Synthetic Siesmograms and Parallel Databases for storing and processing LIDAR Data


Neutron Science Instrument Gateway

• Steve Miller• Gateway

field/discipline• Start date• Project goals• Number of users

– Current #– Expected #

• Computational requirements

• Measures of success• Interesting tidbit


GridChem Science Gateway• Sudhakar

Pamidighantam, Lead Architect

• Chemistry/Molecular Sciences

• Start Date: October 2004• Project goals: Provide Seamless Grid

resources and Services for Molecular Sciences

• Number of users– Current 222– Expected 1000

• Computational requirements:

High End Resources for High throughput Computations and Visualization

• Measures of success– Number of Satisfied Users– Number of Publications by

Users• Interesting tidbit: Delivered about 380 000

Sus last year which resulted in 6 Publications


Open Science Grid (OSG)• Ruth Pordes, Fermilab, Executive Director of the OSG• a science driven collaborative cross-domain self-managed national

distributed cyber-infrastructure Consortium bringing together campus and community infrastructures and Virtual Organizations at all scales

• Users: 1000 different DNs have accessed the infrastructure; Double in ~2 years.

• Computational Requirements of contributing users: 100,000 cores in 2009. 10 Petabytes tape and disk storage.

• Measures of success: Effective and appreciated contributions to the full range from large physics collaborations e.g. LHC, LIGO to small research groups e.g. Virtual Cell, SPGrid and sought after training programs.

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GISolve• Shaowen Wang, PI• Yan Liu, Developer• Gateway field/discipline:

Geography and Regional Science; Geosciences

• Start date: 7/1/2003• Project goals: see a summary

at www.gisolve.org • Number of users

– Current: ~40– Expected by the end of 2007:

~150

• Computational requirements: compute intensive, data intensive, demand visualization, need to collaborate across disciplines and distance

• Measures of success: capabilities for solving large- scale, multi-scale, and/or ill-structured geospatial problems using cyberinfrastructure

• Interesting tidbit: broad impact on the fields that rely on geospatial information science and technologies

http://www.gisolve.org/


Roy Williams

Nesssi is theNational Virtual Observatoryframework for secure, asynchronous services

• Service oriented architecture• Click or Code (no Globus)

• Sophisticated security• Developers welcome

Nesssi can do• Image mosaicking from any VO-enabled survey

• Multiple cutouts from multiple VO surveys

• Mock observations from ENZOhttp://us-vo.org/nesssi

Documents

TeraGrid Science Gateways