Update on TASCS Component Technology Initiatives

1. Update on TASCS Component Technology Initiatives Lois McInnes, Focus Lead Presented by Jarek Nieplocha, HPC Initiative Lead

2. Support for Emerging HPC Hardware and Software Paradigms • Overall Goal: Enable effective use of CCA on emerging HPC architectures • Multiple-Component-Multiple-Data (MCMD) CCA Technology enables componentization of apps based on multiple levels of parallelism with focus on massively parallel systems. • CCA on Heterogenous Architectures helps with portability and management of software modules executing on hardware accelerators (FPGA, IBM Cell, NVDIA Tesla etc). • Ongoing work: mass spectrometer applications: code transformations to make new component • CCA in Fault Tolerant Environments focuses on better support for massively parallel architectures where frequent hardware faults are expected. • ORNL represents us on ASCR CIFTS project. • Tried to harmonize CCA Event Service with their API for the Fault Tolerance Backplane (currently frozen to support SC’07 demos) • A component-based FT demonstration using the FTB has been delayed due to platform access and application portability issues.

3. MCMD • Recent activities focus on development of specifications for CCA-based processor groups teams • BOFs held during CCA meetings in April and July, 2007 • Mini-Workshop held January 24, 2007 • Use cases documented and analyzed • Wiki webpage and mailing list: https://www.cca-forum.org/wiki/tiki-index.php?page=MCMD-WG • Specifications document version 0.3 • Telecon held Sept 28, 2007 • Some people sent good comments by email • Issues about threads, fault tolerant environment, MPI-centric narrative and examples, ID representation • Plans • Complete and present the document at the next meeting • Prototype implementation and some application evaluation

4. Software Quality and Verification • Overall Goal: Extend component interface definitions with semantic annotations that can be verified/enforced at composition or run time (contracts) • Recent Activities • Publications • S. Parker et al., “Enabling Advanced Scientific Software,” submitted to Cyberinfrastructure Technology Watch (http://www.ctwatch.org) for special 4th quarter “DOE SciDAC Software Enabling Technologies for Petascale Science” issue. • Presentations • T. Dahlgren, “Performance-Driven Interface Contract Enforcement for Scientific Components,” in Proceedings of the 10th International ACM SIGSOFT Symposium on Component-Based Software Engineering (CBSE-10), Medford, MA, July 9-11, 2007. Also available as Lawrence Livermore National Laboratory Technical Report UCRL-PRES-232517. • Progress integrating experimental enforcement features into Babel repository • Refactored runtime library features to better encapsulate internal use-only methods. • Revised assertion regression test (Vector Utils) – more robust implementation and client side cleanup (including comments with new enforcement-related calls). • Preliminary integration of new features into command line, user options, DTD, XML parser, and symbol table. • University/education interactions: T. Dahlgren submitted to UC Davis committee the latest version of Ph.D. thesis partially based on this work • Plans • October-December: Complete integration of experimental enforcement features into the Babel compiler (i.e., symbol table, C back end, and IOR) … capabilities to be used by CQoS working group.

5. Computational Quality of Service • Overall Goal: Develop infrastructure for dynamic component adaptivity, i.e., composing, substituting, and reconfiguring running component applications in response to changing conditions • Performance, accuracy, mathematical consistency, reliability, etc. • CQoS Wiki and mailing list: https://www.cca-forum.org/wiki/tiki-index.php?page=Computational+Quality+of+Service • Recent Activities • CQoS session (pre-CCA meeting): July 18, 2007, Silver Spring, MD • Updates from everyone: See details/slides: https://www.cca-forum.org/wiki/tiki-index.php?page=Summer+2007+Agenda • Joe Kenny (SNL): Automatic selection of integral evaluators in quantum chemistry • Jaideep Ray (SNL): A first evaluation of rule-based dynamic configuration of load-balancers for AMR simulations of flows • Masha Sosonkina (Ames): Adaptivity features of sparse iterative linear algebra kernels represented as components • Alan Morris (Univ of Oregon): CQoS infrastructure in TAU • Andrea Berger (Clarion Univ), Lois Curfman McInnes and Boyana Norris (ANL): Simple linear solver components using SciPy • Li Li (ANL): CQoS infrastructure for scientific applications • Rob Armstrong (SNL): A data component for the CQoS testbed • Group discussion: Applications teams' highest priority for CQoS infrastructure: tools for performance database query and management • Decided to establish monthly group telecons to sync on overall progress • Thus far have been very useful and effective

6. Computational Quality of Service • Recent Activities (cont.) • CQoS telecon: Aug 27, 2007 • Details: https://www.cca-forum.org/wiki/tiki-index.php?page=CQoS:8-27-2007 • Joe Kenny (SNL): plans for quantum chemistry simulations using CQoS tools • Jaideep Ray (SNL): plans for combustion simulations using CQoS tools • Li Li (ANL): plans for adaptive linear solvers using matrix metadata via Anamod; proposed performance database store and query API • CQoS telecon: Sept 24, 2007 • Details: https://www.cca-forum.org/wiki/tiki-index.php?page=CQoS:9-24-2007 • Jaideep Ray (SNL): CQoS database usage in combustion • Joe Kenny (SNL): CQoS database usage in quantum chemistry • Meng-Shiou Wu (Ames): chemistry performance database and CQoS • Li Li, Boyana Norris, and Lois McInnes (ANL): CQoS database usage in adaptive linear solvers • CQoS BOF:to be held tomorrow (Oct 12, 2007) • Review new performance metadata formats that were coordinated by PERI (Boyana Norris) • Establish specific requirements for new performance database capabilities • Work on defining component interfaces for database query and management (C++ and SIDL)

7. EnvironmentYear 1 Deliverables Gary Kumfert Key = Done = On Track | Visible progress = Need More Next Meeting = Unknown ?

8. 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 help@cca-forum.org Documentation CCA Specification (LLNL-lead) Core Tools: BenInstitutions: SNL, LLNL, UU, ORNL, ANL Babel ported to BG/L (thanks Tom) C,C++,F77 independently confirmedat ANL (thanks Boyana) Postpone? Tutorial & Toolkit are being rewritten w/ Bocca for SC|07 Feedbackto GNU

9. Inter-framework Prototypes CCA-Kepler (UU-lead) XCAT-BabelRMI (BU-lead) CCA Services CommandLineService (???) MPIService (SNL-lead) EventService (UU-lead) Waiting on CCARB to be finalized GuiBuilderService (ANL-lead) Waiting on EventService Enhancements: TomInstitutions: LLNL, BU, UU, SNL, ORNL ? Funding delays Bonus Items • New CCA Specification Process • Passed • Awaiting CCARB to be named & approved • CCA 1.0 Requirements Doc • (Modelled after Babel’s activity) • Will start up as a WG once CCARB is seated • Babel Structs (Y2 deliverable) • C/C++ bindings are in SVN • More details in Babel Roadmap talk later

10. Draft CCA-Lite Spec & Fwk (LANL-lead) Component Test Harness (ORNL-lead) Document Multilanguage & Component Debugging Techniques (SNL or ANL) Matt Usability: CraigInstitutions: LANL, SNL, ANL, ORNL, Tech-X, PNNL, LLNL ? This section is being refocused. Matt will lead a separate discussion about usability.

11. Major New Activity • Started collaboration with CScADS, ITAPS, and Chemistry Apps to look for optimization techniques to improve performance of Babel. • John Mellor-Crumney is looking to apply compiler optimization technologies to the multi-lingual environment Babel presents. • New mailing list: cca-fast@cca-forum.org • We will meet again at SC|07 (exact time/place TBD)

12. Toolkit Rob Armstrong Focus Lead

13. Toolkit News • Sandia is looking at componentizing Chambo. • Bocca is to be released. • Toolkit components can be easily created from existing code • See other presentations today • A toolkit component porting camp?

14. User and ApplicationsOutreach and Support David E. Bernholdt Focus Lead

15. Application Support and Collaboration

16. SciDAC Center/Institute Collaborations

17. Potential Collaborations • Govindaraju–ORNL on HPC checkpointing • not CCA yet, but natural connection with HPC initiative • Chiu-BU cardiac modeling • CCA potential • Bernholdt, Shasharina–ITER Integrated Modeling • Common data model, interfaces, possibly frameworks • September meeting in France, second with this group • Norris–Community Surface Dynamics Modeling System @ U Colorado (NSF) • Larson–A Data Domain to Model Domain Conversion Package (DMCP) for Sparse Climate Related Process Measurements (SciDAC SAP)

18. Publications & Presentations • Fang Liu and Randall Bramley, CCA-LISI: On Designing A CCA Parallel Sparse Linear Solver Interface, Proc. of the IEEE International Parallel and Distributed Processing Symposium, 2007 • Steven G. Parker, Kostadin Damevski, Ayla Khan, Ashwin Swaminathan, Chris R. Johnson. The SCIJump Framework for Parallel and Distributed Scientific Computing. In Advanced Computational Infrastructures for Parallel/Distributed Adaptive Applications. Edited by Manish Parashar, Xiaolin Li, and Sumir Chandra, Wiley Press, 2007 (to appear) • K.Damevski, A. Swaminathan, S. Parker. "Highly Scalable Distributed Component Framework for Scientific Computing". In Proceedings of the 3rd International Conference on High Performance Computing and Communication (HPCC 2007), Houston, Texas • K. Damevski, K. Zhang, S. Parker "Practical Parallel Remote Method Invocation for the Babel Compiler". In Proceedings of the HPC-GECO/CompFrame'07 Workshop, Montreal, Canada (accepted) • Jarek Nieplocha keynote at 7th International Conference on Parallel Processing and Applied Mathematics on Sept. 10 in Gdansk, Poland • D. Dechow and L. McInnes, Components for Beam Dynamics, All-Hands kickoff meeting for the Community Petascale Project for Accelerator Science and Simulation (COMPASS), Fermilab, Sept 17, 2007.

19. Publications & Presentations • D.R. Dechow, B. Norris, and J. Amundson, The Common Component Architecture for Particle Accelerator Simulations, Proceedings of HPC-GECO/CompFrame'07, October 21-22, 2007, Montreal, Quebec, Canada, ACM, 2007. • J.W. Larson and B. Norris, Component Specification for Parallel Coupling Infrastructure, in / Proceedings of the International Conference on Computational Science and its Applications (ICCSA 2007)/, O. Gervasi and M.L. Gavrilova (eds) Lecture Notes in Computer Science Volume 4707, Springer-Verlag, 55-68 (2007). • CTWatch paper • David E. Bernholdt, The Role of Component Software Technology in Meeting the Challenge of Petascale Scientific Simulation, seminar, PetroBras CENPES (Research Center), 2007. • David E. Bernholdt, The Common Component Architecture: Building Frameworks for Computational Science, keynote talk, International Conference on Modeling and Simulation in the Petroleum Industry, 2007. People & Places • Fang (Cherry) Liu (IU) @ Tech-X (intern) • Samantha Foley (IU) @ ORNL (intern) • Damian Rouson @ SNL • New hire, but past Forum participant

20. Recent Activities/Near-Term Plans • October • Kumfert to represent TASCS at SciDAC Centers and Institutes Workshop • Shasharina invited talk at ICALEPCS07 • HPC-GECO/CompFrame, 21-22 Oct, Montreal • November • SC2007: Babel, CCA, Global Arrays tutorials • December • e-Science 2007, 10-13 December, Bangalore, India (contact Ken Chiu) • April • High Performance Computing and Simulation Symposium (HPCS 2008), Ottawa, Canada (contact Masha Sosonkina)