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OGCE Workflow Suite for Science Gateways
Suresh Marru, Raminder Singh,Chathura Herath & Marlon Pierce
Indiana University
OGCE
Generalize, Harden, Build
Test
Requirements from gateways
• Gateways demand scientific workflow systems to be:– Flexible– Dynamic– Interactive – Technology Adaptive– Interoperable with Emerging Computational
Resources and their job management interfaces
OGCE Workflow Suite
• Generic Service Toolkit– Tool to wrap command-line applications as web services– Handles file staging&job submissions– Extensible runtime for security, resource brokering& urgent computing– Generic Factory service for on-demand creation of application services
• XRegistry– Information repository for the OGCE workflow suite– Register, search, retrieve&share XML documents– User & hierarchical group based authorization
• XBaya– GUI based tool to compose&monitor workflows– Extensible support for compiler plug-ins like BPEL &Jython– Dynamic Workflow Execution support to start, pause, resume, rewind
of workflow executions
OGCE Workflow Tutorial
Features
• Security– Authentication and authorization– Secure invocations between services– Support for gateway community accounts– Support for multiple user accounts
• Reliability– Retry job submissions and file staging– Fault Tolerance and Recovery service
• Over-provisioning and migration
• Compatibility– Taverna, Kepler and Trianna
OGCE Workflow Tutorial
Application Services• Workflows are built by composing web
services– Fortran applications are “wrapped” by a
Application Factory which generates a web service for the app.
• Registers WSDL for the service with a registry
– Each service generates a stream of notifications that log the service actions back to the XMC Cat Metadata Catalog.
c
Application Factory
App Service
Run program& publish events
Workflow Composition, Execution & Monitoring
XBaya enables users to construct, share, execute and monitor sequence of tasks executing on their local workstations to high-end compute resources.
Service Monitoring via Events• The service output is a stream of events
– I am running your request– I have started to move your input files.– I have all the files– I am running your application.– The application is finished– I am moving the output to you file space– I am done.
• These are automatically generated by the service using a distributed event system(WS-Eventing / WS-Notification)– Topic based pub-sub system with
a well known “channel”.Notification
Channel
listener publisher
SubscribeTopic=x
xx
ApplicationService
Instance
12
34
56
WRF-Static running on Tungsten
OGCE Workflow Tools
Workflow Suite Architecture
“A significant need exists in many disciplines for long-term, distributed, and stable data and metadata repositories”
“Metadata is key to being able to share results”
Metadata Catalog
Query For W
orkflows
Mon
itor W
orkf
lows
Sea
rch
Res
ults
Compose Workflow
Workflow
Portal
Message Bus
Wor
kflo
w
Not
ifica
tions
Record Workflow Inputs
Workflow Configuration and Intermediate Results
Record Workflow Outputs
Workflow Notifications
XML Metadata Catalog (XMC Cat)Taming Complex Scientific Metadata Schemas
– NSF Blue-Ribbon Advisory Panel on Cyberinfrastructure
– UK e-Science Core Programme Study
More Info: Scott Jensen
Applications• LEAD
– Lower entry barrier to using weather analysis tools– Improve detection, analysis & prediction of mesoscale weather
• Motif-Network– Transformation of sequenced genomes to “domain-space”
• Cyber-Infrastructure Evaluation– Performance evaluation of future supercomputer architectures
• ADAM– Algorithms for feature extraction, data normalization, classification
and normalization• GridChem
– Molecular Chemistry Grid helping researchers run chemistry applications on Grid Environment
OGCE Workflow Tutorial
88D Radar Re-
mapper
Satellite Data Re-mapper
NIDS Radar Re-mapper
Radar data (Level II)
Surface data, upper air mesonet data and
wind profiler data
Radar data (Level III)
Satellite data
ADAS
Terrain Preprocessor
3D Model Data
Interpolator (Initial
Boundary Conditions)
3D Model Data
Interpolator(lateral Boundary
Conditions)
Terrain data files NAM, RUC, GFS data
WRF Static Preprocessor
ARPS to WRF Data
Interpolator
ARPS Plotting Program
IDV
Surface, terrestrial data files
1
WRF to ARPS DataInterpolator
2
3
4
5
6
7
9
11
12
13
Run once per forecast region
Repeat periodically
for new data
Triggered if a storm is detected
Visualization on users request
ADAM
Data mining:look for storm
signature
WRFWRF
WRFWRF
14
ARPS Ensembl
e Generato
r
15
Static data Initialization Forecast VisualizationReal time data Analysis Data Mining
10
8
LEAD: A Weather Forecasting Workflow (1/2)
13
WRF-Static running on Tungsten
LEAD: A Weather Forecasting Workflow (2/2)
OGCE Workflow Tutorial
Motif-Network: Whole Genome workflow
• Domain webs of large genomes– Input list of amino acid sequences– Identify all known domains– Construct webs
Parallel processingCapability-type computing
Ensemble-type processing(minimal network reqs)
Capacity-type computing
Jeff Tilson, RENCIOGCE Workflow Tutorial
CI: Execute Sub-Workflow
• Input a campaign step filename• Execute GAMESS per step
specification
Jeff Tilson, RENCIOGCE Workflow Tutorial
On-DemandGrid Computing
Example: “Optimal” Weather Prediction Using Dynamic Adaptivity
StreamingObservations
Storms Forming
Forecast Model
Data Mining
Refine forecast grid
Instrument Steering
Live Demo & Questions?
OGCE Workflow Tutorial