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TASCS Project News Update

TASCS Project News Update. October 2006 – January 2007. General Items. SciDAC Organization Workshop 5-6 February, Atlanta Attendance limited to a few PIs from each project Armstrong, Bernholdt, Kumfert to attend Annual SciDAC Conference 24-29 June, Boston

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TASCS Project News Update

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  1. TASCS Project News Update October 2006 – January 2007

  2. General Items • SciDAC Organization Workshop • 5-6 February, Atlanta • Attendance limited to a few PIs from each project • Armstrong, Bernholdt, Kumfert to attend • Annual SciDAC Conference • 24-29 June, Boston • Open attendance, but capped number of participants • ~6 months into the project • Labs got money starting ~July • Universities just getting notifications from Chicago Field Office

  3. Component Technology Initiatives Lois McInnes Focus Lead Jarek Nieplocha HPC Initiative Lead, Presenting

  4. Support for Emerging HPC Hardware and Software Paradigms • Overall goal: Assure that the CCA can be used effectively on emerging architectures • Primary focus areas (PNNL, ORNL) • Heterogenous platforms that combine specialized h/w accelerators with general purpose processors e.g., IBM Roadrunner, Cray XD1 or Cascade system • Multiple-Component-Multiple-Data CCA model that enables componentization of apps based on multiple levels of parallelism especially on massively parallel systems • Mini-Workshop held 24 January, 2007 • Secondary focus area is Fault Tolerance, with ORNL connecting us to the Argonne-led Fault Tolerance project • Level of effort reduced due to budget cuts

  5. CCA on Heterogenous Systems • HPC Computers with hardware accelerators connected via a high-speed interconnect • Initial focus on systems with Field Programmable Gate Array (FPGA) accelerators • Application accelerator services to accelerate application performance on hybrid or heterogeneous architectures • PNNL team working with proteomics application Polygraph that uses FPGA computes a “spectral fingerprints” • Want to be able build CCA reusable FPGA-accelerated components using that encapsulate common scientific algorithms • Event service is essential for linking components on general purpose CPU and FPGA • Prototype HPC implementation (Steve Parker proposal) done for the Cray XD1

  6. Software Quality and Verification • Overall goal: Extend component interface definitions with semantic annotations that can be verified/enforced at composition or run time (contracts) • Current focus: Integrating contract enforcement features. Goals: • Eliminate C binding dependencies • Reduce client-side instrumentation burden • Especially for programs using multiple (annotated) classes • Eliminate implementation burden on server-side • March 2007 • Integration of new capabilities into main Babel repository • IOR and C bindings TOPS Solver Components and TAO optimization component examples will also be used in enforcement experiments milestone in mid-March.

  7. 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 subgroup meeting on 24 January, 2007 • Year-1 deliverables in progress • Identify requirements of motivating applications • Define metrics, perform base experiments • Implement performance database query and management components • Summary of recent work: Details in cvs repository: cca2-docs/2007/jan07-cqos • Initial motivating applications: • Quantum chemistry: Joe and Meng-Shiou • Combustion: Jaideep and Rob • Accelerators: Doug and Lois • CQoS Infrastructure: • Analysis (when to change): Sameer and Allen • Semantics: Tammy • Control (what to change): Boyana and Jaideep

  8. CQoS: Near-Term Activities • Build testbed of simplified CQoS example problems • Goal: Enable CQoS infrastructure development and testing without requiring complete combustion/chemistry/accelerator applications • Initial plans for contents: • Parallel 2D regular mesh with chemistry/physics varying in 2 subdomains: Rob • TOPS linear solver components: Make initial algorithmic choices based on matrix metadata (using Eijkhout’s Anamod); later incorporate adaptivity in nonlinear problems • Additional simplifications or subparts of the motivating combustion/chemistry/accelerator simulations • Establish a Wiki to facilitate subgroup interactions • Question for everyone: Is there a preferred CCA wiki approach for working groups? Likely wikis would be useful for a variety of TASCS subgroups …

  9. EnvironmentYear 1 Deliverables Gary Kumfert Key = Done or on Track = Expect more by next meeting = Unknown ?

  10. 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 10 submissions (Oct 5-Jan16) 4 resolved 1 spam 1 deferred 4 open Documentation CCA Specification (LLNL-lead) Core Tools: BenInstitutions: SNL, LLNL, UU, ORNL, ANL

  11. CCA Services CommandLineService (???) MPIService (SNL-lead) EventService (UU-lead) Steve will speak more on this today GuiBuilderService (ANL-lead) Waiting on EventService Inter-framework Prototypes CCA-Kepler (UU-lead) XCAT-BabelRMI (BU-lead) Enhancements: TomInstitutions: LLNL, BU, UU, SNL, ORNL ? Some things I said last time were… Services are “MUST-HAVE” for CCA Spec 1.0 Ben was right in Indiana: We should start discussing 1.0 Release Criteria (like LLNL did with Babel). Do we want a more formal specification process?

  12. Draft CCA-Lite Spec & Fwk (LANL-lead) Component Test Harness (ORNL or Tech-X) Document Multilanguage & Component Debugging Techniques (SNL or ANL) Usability: CraigInstitutions: LANL, SNL, ANL, ORNL, Tech-X, PNNL, LLNL ? • Craig Notes: • Contributed BIND(C) implementation to gfortran. • Adding reference counting to CCAIN • Chasm 1.4 release for AIX issues (w/ input from Tom Epperly.)

  13. CCA Toolkit Rob Armstrong Focus Lead

  14. Toolkit Component Providers - Now is the time to contribute • Components should build against a recent Sumo • Our users will install the Sumo • Distribution tarball should install in the canonical places • https://www.cca-forum.org/wiki/tiki-index.php?page=standards • Send a copy of the tarball to rob@sandia.gov • Rob will create a toolkit “Sumo” from selected components (I.e. components that build en masse) • Come to the BOF tomorrow

  15. Introducing Bocca, a Rails-like templating system for CCA • Wael, Boyana, Ben and Rob have been working on this. • Creates an entire project complete with build tree • Create components that build and load out-of-the-box • And incidently do nothing • Allows users to start with working components that can be evolved into something useful. • Lowers the barrier to learning using CCA

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

  17. ANL, LLNL, Tech-X FACETS (SciDAC2 Fusion) Babelizing uedge code ANL, SNL Chemistry SAP (SciDAC2) ANL, Tech-X Accelerator Physics SBIR Indiana, ORNL SWIM (SciDAC1 fusion) CIMA (NSF middleware) ORNL GNEP integrated reactor simulation prototype (ORNL LDRD) componentization and XT3 port PNNL Data intensive computing for complex biological systems (ASCR base) scoring cmpts Tech-X Another SBIR UMD, Utah CPES (SciDAC1 Fusion) interoperable visualization InterComm data management UMD CISM (NSF space weather modeling) Utah SDM (SciDAC2 CET) workflow Chin/Sun workflow project (?) Application Support/Collaboration

  18. Outreach to (Potential) Applications • New NWChem-related project (SciDAC Chem; PNNL) • Groundwater project(s) (PNNL) • Biology project(s) (PNNL) • Spallation Neutron Source (ORNL) • Stellar dynamics NASA proposal (UMD) • COMPASS Accelerator physics SciDAC2 proposal (ANL, Tech-X) • Modeling visual cortex proposal (LANL LDRD) • CCA-lite on Cell architecture (LANL) • Methane-hydrates, groundwater, Yucca mountain modeling (SNL @ Subsurface 2007 workshop) • Jay Larson: "A Data Domain to Model Domain Conversion Package (DMCP) for Sparse Climate Related Measurements," SciDAC Proposal funded by BER, see http://www.atmos.anl.gov/DMCP/ • Bernholdt, Elwasif involved in HPCS program language development efforts, representing CCA among other things

  19. Outreach & Education • Michael R. Head, Madhusudhan Govindaraju (in collaboration with FSU), Benchmarking XML Processors for Applications in Grid Web Services, SC2006 • E.T. Ong, J. W. Larson, B. Norris, R.L. Jacob, M. Tobis, and M. Steder, Multilingual Interfaces for Coupling in Multiphysics and Multiscale Systems, submitted to ICCS 2007. • Kostadin Damevski, Ashwin Deepak Swaminathan and Steven Parker, CCALoop: Scalable Design of a Distributed Component Framework, Proceedings of 16th IEEE International Symposium on High Performance Distributed Computing (HPDC-16), 2007, submitted • J. W. Larson and B. Norris, A Component Specification for Parallel Coupling Infrastructure, in preparation. • Jay Larson, Wanted: A Theory of Model Coupling, ARC Complex and Open Systems Network Seminar, Department of Theoretical Physics, The Australian National University, 5 Oct 2006. • 3 IU courses include CCA (~45 grad students/yr) • Yu “Marie” Ma, PhD, IU, Dec 2006

  20. User Support Built and installed CCA tools on Oklahoma State Systems in support of Andy Li’s group (SNL) Help Desk (since October CCA Forum): New submissions: 9 (+ 1 spam) Resolved: 4 (1 LLNL, 3 SNL) Deferred: 1 Open: 4 Collaboration Server Migration 2 servers purchased and installed in ORNL Fundamental Research Enclave Installed with RHEL4 Premature transfer of domain ownership hosed DNS settings for a day Migration of Mailman mailing lists planned for next week Subsequent phases Web content/services Login access Plone CMS

  21. Near-Term Plans • Bernholdt (CCA), Bramley (SWIM), Cary (FACETS) to speak at US-Japan Workshop on Integrated Simulation of Fusion Plasma next week at ORNL • Armstrong, Bernholdt, Kumfert to attend SciDAC Organization Workshop, 5-6 February, Atlanta • Sussman to attend Geoscience Application Requirements for Petascale Architectures (GARPA-2) at the end of February at SDSC • Allan, plenary speaker at workshops at Int’l Conf. on Computational Methods, April 2007, Hiroshima • IBM Scientific computer users group (ScicomP 2007) will be held at the Max Plank Institute in Garching (near Munich) July 2007 • Planning underway for HPC-GECO/CompFrame 2007, probably to be held in conjunction with OOPSLA, October 2007, Montreal. Bernholdt co-chair w/ many TASCSers and CCAers helping

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