san diego supercomputer center science gateways on the teragrid nancy wilkins-diehr teragrid area...

SAN DIEGO SUPERCOMPUTER CENTER

Science Gateways on the TeraGrid

Nancy Wilkins-DiehrTeraGrid Area Director for Science Gateways

SDSC Director of Consulting, Documentation, TrainingSan Diego Supercomputer Center

[email protected]


Welcome to San Diego


and welcome to SDSC

• Founded in 1986• Cray XMP performs 1

billion ops (1 Gflop)• “We’re totally utilized with

typically 30-40 people running at one time – sometimes 50-60 people!”


SDSC today

• DataStar performs at over 15,000 Gflops

• Thousands of scientists computing, but impact is even greater through software distributions and data collection hosting

• NSF competition for 1 Pflop machine (1 million times faster than the original XMP 20 years ago)


Unexpected Synergies Across Disciplines

• Astronomy and dendrochronology

• Trees in the Sierra Nevada and the beginnings of civilization

• Collaborations as a result of this institute


Astronomy and Dendrochronology

• Dr. Andrew Ellicott Douglass from U of Arizona was an astronomer studying sunspot cycles

• He sought a way to tie the cycles to weather patterns on Earth

• Data recorded in tree rings as a way to validate his astronomical theory


Ancient Bristlecone Pines and the beginning of civilization

• Dr. Edmund Schulman assisted Dr. Douglass and focused on climate research

• His search for older trees led to the discovery of 4,700 year old bristlecone pines

• Subsequent recalibration of radiocarbon dating process

• Reinterpretation of cultural diffusion in the Mediterranean and Europe


What Unexpected Synergy Will You Uncover This Week?

• Come with an open mind• Have your own challenges in mind

– What would you really like to explore, if only…

• Take advantage of knowledgeable presenters– How can they help me with what I want to do?

• Fraternize with other attendees– How can I learn from others, even in seemingly

unrelated fields?


Terrific Learning Opportunities

• HASTAC portal• GridSphere• CITRIS Application Gateways• Digital Libraries• Data Collections• Database Design• Virtual Research Environments• Variety of Case Studies


My Talk Today

• What are Science Gateways?• Why TeraGrid and Gateways?• Initial Strategy• Implementation Details

– Issues to address when using TeraGrid

• Future growth


Gateways are part of TG’s 3-pronged strategy to further science

• DEEP Science: Enabling Terascale Science– Make science more productive

through an integrated set of very-high capability resources

• ASTA projects

• WIDE Impact: Empowering Communities– Bring TeraGrid capabilities to the

broad science community• Science Gateways

• OPEN Infrastructure, OPEN Partnership– Provide a coordinated, general

purpose, reliable set of services and resources

• Grid interoperability working group


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


Initial Focus on 10 Gateways


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


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


spruce.teragrid.orgSpecial Priority and Urgent Computing Environment


Linked Environments for Atmospheric DiscoveryLEAD

•Providing tools that are needed to make accurate predictions of tornados and hurricanes

•Meteorological data•Forecast models•Analysis and visualization tools

•Data exploration and Grid workflow


Gateways are growing in numbers

• 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• Cornell

• Many others interested– SID Grid– HASTAC


NCAR Earth System Grid

• ESG originally a distributed data management/access system but it has evolved into more.

• User registration, authorization controls, and metrics tracking

• CCSM model source, initialization datasets, post-processing codes, and analysis and visualization tools.

• Prototypes of model- submission environments, eventually real-time tracking of model status along with references to available output datasets.

• "science gateway" for climate research.

• Expect to see more model runs at higher- resolution and with greater component scope.


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


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)


Gateway Web Services Needs

• Interfaces provided by the TeraGridThe list of services that have been identified by the gateways developers includes:

– Resource Status Service (both polling and pub/sub) – Job Submission Interface

• The gateways expect this to be provided by WS-GRAM – Job Tracking Interface (Both polling and pub/sub) – File/Data Staging Interface – Retrieve Usage Information – Retrieve Inca Info – Advanced Reservation Interface – Cross-site Run interface– Pushing DN to an RP interface

• Interfaces provided by the GatewaysThe list of services that have been identified by the gateways developers and the TeraGrid Security group includes:

– Retrieve user information for a job – Retrieve accounting information/statistics – Provides the necessary means to track down problem job submissions, identify malicious users, and tabulate

accounting and logging information for reporting needs by the RPs. It is expected that the information provided for the first interface is simply the (resource, job id) that is known by both parties at job submission time. This interface provides sufficient user information for the RPs to deal with the situation at hand, and possibly identifies another interface that should be provided by the gateways:

– Don't submit jobs from the user who submitted job (resource, job id), until we say it's Ok. – The accounting interface requires no information, but returns sufficient accounting information and statistics to

report to funding agencies, program managers, etc.


Gateway primer and “getting started” documentation by end of summer

1. 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


Want to be involved?

• [email protected] mailing list– Email [email protected]– <subscribe gateways> in body

• Biweekly telecons to get advice from others. Current focus– Gateway documentation– GRAM auditing fully tested– Community account policies– TG-provided web service interfaces– Increase usage of community accounts

• Slides from full day tutorial at TG06 available from the TeraGrid link at www.cichannel.org

– In depth presentations by LEAD, nanoHUB, RENCI, GIScience• As original gateways move into production, we will be able to provide short

term support to new projects that would benefit from utilizing TeraGrid resources

• More info - www.teragrid.org

• Nancy Wilkins-Diehr, [email protected]

san diego supercomputer center science gateways on the teragrid nancy wilkins-diehr teragrid area...

Documents