Cyberinfrastructure and the
Role of Grid Computing
Or, “Science 2.0”
Ian Foster
Computation Institute
Argonne National Lab & University of Chicago
“Web 2.0”

Software as services


Services as platforms


Declan
Butler
Easy composition of services to create new
capabilities (“mashups”)—that themselves
may be made accessible as new services
Enabled by massive infrastructure buildout



Data- & computation-rich
network services
Google projected to spend $1.5B on
computers, networks, and real estate in 2006
Dozens of others are spending substantially
Paid for by advertising
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Science 2.0:
E.g., Virtual Observatories
User
Discovery tools
Analysis tools
Gateway
Data Archives
Figure: S. G. Djorgovski3
Science 2.0:
E.g., Cancer Bioinformatics Grid
Data Service
@ uchicago.edu
<BPEL
<Workflow
Workflow
Inputs>
Doc>
link
link
Researcher
Or Client App
<Workflow
Results>
BPEL
Engine
link
link
Analytic service
@ duke.edu
Analytic service
@ osu.edu
Ravi Madduri et al.
4
The Two Dimensions
of Science 2.0
Function
Resource

Decompose across network
Users
Discovery tools
Clients integrate dynamically


Select & compose services

Select “best of breed” providers

Publish result as new services
Analysis tools
Data Archives
Decouple resource & service providers Fig: S. G. Djorgovski
5
Technology Requirements:
Integration & Decomposition
Users

Service-oriented applications



Wrap applications &
data as services
Compose services
into workflows
Service-oriented Grid
infrastructure

Composition
Workflows
Invocation
Appln
Service
Appln
Service
Provisioning
Provision physical
resources to support
application workloads
“The Many Faces of IT as Service”, ACM Queue, Foster, Tuecke, 2005
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Globus Software
Enables Grid Infrastructure

Web service interfaces for behaviors
relating to integration and decomposition



Services: program execution, data
movement, data access, …
Open source software that implements
those interfaces


Primitives: resources, state, security
In particular, Globus Toolkit (GT4)
All standard Web services

“Grid is a use case for Web services,
focused on resource management”
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Open Source Grid Software
Globus Toolkit v4
www.globus.org
Data
Replication
Credential
Mgmt
Replica
Location
Grid
Telecontrol
Protocol
Delegation
Data Access
& Integration
Community
Scheduling
Framework
WebMDS
Python
Runtime
Community
Authorization
Reliable
File
Transfer
Workspace
Management
Trigger
C
Runtime
Authentication
Authorization
GridFTP
Grid Resource
Allocation &
Management
Index
Java
Runtime
Security
Data
Mgmt
Execution
Mgmt
Info
Services
Common
Runtime
Globus Toolkit Version 4: Software for Service-Oriented Systems, LNCS 3779, 2-13, 20058
http://dev.globus.org
Guidelines
(Apache)
Infrastructure
(CVS, email,
bugzilla, Wiki)
Projects
Include
…
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Hosted Science Services
1) Integrate services from external sources

Virtualize “services” from providers
Content
Services
Capacity
Community
Services
Provider
Capacity
Provider
2) Coordinate & compose

Create new services from existing ones
“Service-Oriented Science”, Science, 2005
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The Globus-Based
LIGO Data Grid
LIGO Gravitational Wave Observatory
Birmingham•
Cardiff
AEI/Golm
Replicating >1 Terabyte/day to 8 sites
>40 million replicas so far
MTBF = 1 month www.globus.org/solutions
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Data Replication Service

Pull “missing” files to a storage system
Data Location
Data Movement
Reliable
File
Transfer
Service
Data Replication
List of
required
Files
GridFTP
Local
Replica
Catalog
Replica
Location
Index
GridFTP
Local
Replica
Catalog
Replica
Location
Index
Data
Replication
Service
“Design and Implementation of a Data Replication Service Based on the Lightweight
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Data Replicator System,” Chervenak et al., 2005
Example: Biology
Public PUMA
Knowledge Base
Information about
proteins analyzed
against ~2 million
gene sequences
Back Office
Analysis on Grid
Natalia Maltsev et al.
http://compbio.mcs.anl.gov/puma2
Involves millions of
BLAST, BLOCKS, and
other processes 14
Example:
Earth System Grid


Provide access to large
climate simulation data

Per-collection control

Different user classes

Server-side processing
Implementation (GT)

Portal-based User
Registration (PURSE)

PKI, SAML assertions

GridFTP, GRAM, SRM

>2000 users

>100 TB downloaded
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Under the Covers
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Example:
Astro Portal Stacking Service



On-demand “stacks”
of random locations
within ~10TB dataset
Challenge



+
+
+
+
+
+
+
Purpose
Rapid access to 1010K “random” files
Time-varying load
Solution
Dynamic acquisition
of compute, storage
With Ioan Raicu & Alex Szalay
=
S4
Web page
or Web
Service
Sloan
Data

17
Astro Portal
Stacking Performance (LAN GPFS)
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Example: Cybershake
Calculate hazard curves by generating synthetic
seismograms from estimated rupture forecast
Hazard Map
Strain Green
Tensor
Rupture Forecast
Synthetic Seismogram
Spectral Acceleration
Tom Jordan et al., SCEC
Hazard Curve
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Number of jobs per day (23 days), 261,823 jobs total, Number
of CPU hours per day, 15,706 hours total (1.8 years)
JOBS
100000
HRS
10000
1000
Cybershake on
the SCEC VO
100
10
Provenance
Catalog
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Data
Catalog
Workflow
Scheduler/Engine
VO Service
Catalog
SCEC
Storage
TeraGrid
Storage
Deelman, Kesselman, et al., USC/ISI
VO Scheduler
TeraGrid
Compute
(20 TB,
1.8 CPU year)
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Science 1.0  Science 2.0
Gigabytes  Terabytes
Tarballs  Services
Journals  Wikis
Individuals  Communities
Community codes  Science gateways
Supercomputer centers  TeraGrid, OSG, campus
Makefile  Workflow
Computational science  Science as computation
Physical sciences  All sciences (& humanities)
Computational scientists  All scientists
NSF-funded  NSF-funded
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Science 2.0 Challenges

A need for new technologies, skills, & roles


A need for substantial software development


“30-80% of modern astronomy projects is
software”—S. G. Djorgovski
A need for more & different infrastructure


Creating, publishing, hosting, discovering,
composing, archiving, explaining … services
Computers & networks to host services
Can we leverage commercial spending?

To some extent, but not straightforward
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For More Information

Globus Alliance


Dev.Globus


www.opensciencegrid.org
TeraGrid


dev.globus.org
Open Science Grid


www.globus.org
www.teragrid.org
Background

2nd Edition
www.mkp.com/grid2
www.mcs.anl.gov/~foster
Thanks for DOE and NSF for research support!!
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