Component Technology Initiatives

CCA Forum Autumn Meeting 15 October 2006

CCACommon Component Architecture

Component Technology Initiatives

How can we exploit the component environment to provide computational scientists with better ways to develop their software?

• Support for Emerging HPC Hardware and Software Paradigms– Motivation: chemistry, biology, and groundwater

• Software Quality and Verification– Motivation: CCA toolkit, fusion, combustion, quantum

chemistry, accelerators

• Computational Quality of Service– Motivation: parallel mesh partitioning in combustion,

resource management in quantum chemistry, parallel linear solvers in core-edge fusion and high-energy accelerators



Support for Emerging HPC Hardware and Software Paradigms

• Investigate how component environments can be used to enhance the user’s experience programming for new and emerging high-end systems– Massive levels of parallelism (105-106+ concurrent threads)– Heterogeneous processor environments

• FPGAs, scalar+vector+threaded, co-processors, etc.

• Planned activities– Develop and implement management for progress groups

and (multi-level) MCMD parallelism– Develop techniques to support asynchronous interactions of

components representing co-processors/accelerators with those running on the traditional processors



Software Quality and Verification

• Extend component interface definitions with semantic annotations which can be verified/enforced at composition or run time (contracts)– Developers provide “executable documentation” about

correct use– Users protected against improper usage due to code error,

unforeseen circumstances, etc.– Can facilitate verification that the code is actually doing

what it was intended to do

• Planned activities and connections– Implement and demonstrate annotations in selected Toolkit

components– Emphasize annotations needed to support CQoS work



Computational Quality of Service• Composition, substitution, and reconfiguration of running

component applications in response to changing conditions– Performance, accuracy, mathematical consistency, reliability, etc.

• Planned activities– Develop common software infrastructure for dynamic component adaptivity

• Analysis (when to change)• Control (what to change)

• Connections– Software Quality initiative– University of Oregon: performance monitoring, modeling, and analysis– TASCS Software Quality Initiative: Interface semantics– CCA Environment: Event model that supports dynamic CQoS behavior– PERC Project: Performance tools– TOPS Project: Solver interfaces– Other external tools where appropriate (e.g., Eijkhout et al., Liu & Parashar,

etc.)



TASCS Initiative Interactions with Apps

TASCS Activities / Contacts

Project / PI Funding Status Collaboration (full/partial/none)

Emerging HPC (Jarek Nieplocha)

Scaling the Challenges in Subsurface Simulations, Tim Scheibe (PNNL), SAP: Bruce Palmer (PNNL)

App: 100%, SAP 90% full

Emerging HPC (Jarek Nieplocha)

Biopilot project, TJ Strassma (PNNL)

Ongoing full

Emerging HPC (Manoj Krishnan), CQoS (Joe Kenny)

Chemistry Framework Using the CCA, Mark Gordon (Ames)

$0.5m for 3 years full

Environment (Tom Epperly, Sveta Shasharina), CQoS

(Lois Curfman McInnes)

Framework Application for Core-Edge Transport Simulations, John Cary (Tech-X)

$2.2m for 5 years full

CQoS (Jaideep Ray) CFRFS, Habib Najm (SNL) Under review TBD

CQoS (Lois Curfman McInnes)

High-Energy Accelerators (TBD) Writing new community proposal

TBD

Software Quality and Verification (Tammy Dahlgren)

CCA Toolkit + CQoS applications See above See above

CCA Forum Autumn Meeting 6CCA Forum Autumn Meeting5 October 2006 65 October 2006


EnvironmentYear 1 Deliverables

Gary Kumfert



Core Tools: BenInstitutions: SNL, LLNL, UU, ORNL, ANL

• PORTING to NLCF Machines– XT-3

• Babel (ORNL-lead)– Wael started this in Indiana Mtg.

• Ccaffeine (SNL-lead)• Tutorial (?)• Toolkit (?)

– Blue Gene• Babel (LLNL-lead)• Ccaffeine (SNL-lead)• Tutorial (?)• Toolkit (?)

• Set up Helpdesk (LLNL-lead)– https://cca-forum.org/bugs/help– [email protected]– 14 submissions

• 6 “fixed” –meaning resolved• 3 tests• 5 unresolved

• Documentation– CCA Specification (LLNL-lead)

To “encourage” shared staffing of the helpdesk, statistics about time-to-resolution, participating institutions, etc. will be published at CCA meetings.



Enhancements: TomInstitutions: LLNL, BU, UU, SNL, ORNL

• CCA Services– CommandLineService (???)– MPIService (SNL-lead)– EventService (UU-lead)

• Steve will speak more on this today

– GuiBuilderService (ANL-lead)

• Inter-framework Prototypes– CCA-Kepler (UU-lead)– XCAT-BabelRMI (BU-lead)

Services are “MUST-HAVE” for CCA Spec 1.0

Ben was right in Indiana: We should startdiscussing 1.0 Release Criteria (like LLNL didwith Babel).

Do we want a more formal specification process?



Usability: CraigInstitutions: LANL, SNL, ANL, ORNL,

Tech-X, PNNL, LLNL

• Draft CCA-Lite Spec & Fwk (LANL-lead)

• Component Test Harness (ORNL or Tech-X)

• Document Multilanguage & Component Debugging Techniques (SNL or ANL)



Toolkit News

Rob Armstrong

Toolkit Tut

Sandia National Labs

Livermore, CA 94551

[email protected]



Telecon: time to stop talking about the CCA Base Install Build System and

just do it.• Need a scalable, pluggable build system and

install base. Decisions have been made:– Components built against a consistent set of CCA

Tools (i.e. Sumo).– where components and their dependencies are

mixed and matched.– Components can be added and removed without

breaking the build– Individual component code remains separate and

individually modifiable in the build tree.– Wael, Boyana, Ben will talk about this later.



Nightly build and testing

• CCA Tools (i.e. Sumo) and Base Install must have automatic testing, nightly build style– Check out CCA Tools from their repositories and

build them, test them, automatically.– Many political questions:

• Should Toolkit components be tested nightly as well?• Do you trust Rob with your repository?• Repository tagging for “blessed” Toolkit distro's?

– Rob (yours truly) will talk about this later.



Timetable

• There are many components that are claimed to be “ready to go”– A consistent approach is all that is lacking.

• By next meeting we should have a pretty deployable system (?)

• Front-loading some time on this will leverage the much larger number of component developers sooner rather than later...



User and ApplicationsOutreach and Support

David E. Bernholdt

Focus Lead



Applications Activities

• ANL– Doug Dechow Beam Dynamics (DOE

SBIR) discussions– FACETS (fusion SciDAC2) participants;

use of coupling and TOPS solver components

– Accelerator Physics SciDAC2 proposal development

• Indiana, ORNL– SWIM (fusion SciDAC1) participants

• LLNL– PSI LDRD (MPMD multiscale materials

science) project ran large production runs using Babel RMI intensively (680 nodes x 2 CPUs/node x ~48 hours)

• ORNL– GNEP integrated reactor simulation

prototype (ORNL LDRD)

• PNNL– Updating NWChem MCMD to latest

CCA tools

• Tech-X– various fusion projects

• UMD– Space weather modeling (NSF)

participant– Klasky/Parashar CPES (fusion

SciDAC1) discussions



User Support

• ANL– Doug Dechow– Jim Jones (Masha Sosonkina student)

• SNL– various help desk responses

• Tech-X– Tech-X internal users



Outreach• ACTS tutorial

– Ben Allan contact with European group interested in componentizing MODFLOW 2000 (groundwater)

• WoCo9: Grid-based Problem Solving Environments: Implications for the Development and Deployment of Numerical Software

– Boyana Norris et al. talk & paper “Computational Quality of Service for Scientific Component Applications”

• 13th Biennial Computational Techniques and Applications Conference (CTAC '06)– J.W. Larson, talk & paper "Organising Principles for Coupling in Multiphysics and Multiscale Models“– J.W. Larson, et al. talk & paper "PyMCT and PyCPL: Refactoring the Community Climate System

Model Using Python”

• MODEST-7c: Multi-Scale, Multi-Physics Software Frameworks (in MODEST and Elsewhere)– David Bernholdt, talk “The Common Component Architecture: Building Frameworks for Computational

Science”– NSF/Physics and the Information Frontier proposal with Bernholdt and Sussman as collaborators



Outreach– N. Wang, an invited talk at GPCE4QoS workshop “Applying GPCE in Distributed and Parallel

High-Performance Scientific Computing”– Tech-X poster @ APS/DPP November “Framework for Modernization and Componentization

of Fusion Modules"– SC06

• Binghamton paper "Benchmarking XML Processors for Applications in Grid Web Services“• Global Array tutorial• Scientific Data Management tutorial• CompFrame BOF

– IBM Scientific computer users group (ScicomP 2007) will be held at the Max Plank Institute in Garching (near Munich) July 2007

– Tutorial revamp– cca-forum.org upgrade and migration

Applications– PNNL groundwater SAP ramping up– ANL climate SAP ramping up

Near-Term Plans



Hall of Shame

• Indiana• Rob Armstrong

Documents

Component Technology Initiatives