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Integrating SciDAC Modules with Community Application Codes

This presentation reviews the integration of SciDAC modules with community codes in the USQCD collaboration. It discusses community code bases like Chroma, CPS, and MILC, exploring their design, structure, and contributions to lattice QCD. The focus is on improving science support, portability, efficiency, and versatility in lattice generation and hadron spectrum calculations. Future directions include optimization for rapid advancements in algorithm methods and hardware. The talk advocates for the continued development of collaborative tools to enhance performance and foster new scientific opportunities.

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Integrating SciDAC Modules with Community Application Codes

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  1. Integrating SciDAC Modules with Community Application Codes USQCD Collaboration SciDAC-II Review C. DeTar, Univ Utah

  2. Outline • Community code bases • Code design and structure • Integration with SciDAC suite • Future directions

  3. Community Code Bases • Chroma (Jlab) (Edwards talk) • 200? – present • XX users worldwide • CPS (Riken-Brookhaven-Columbia collab) • 199? – present • XX users worldwide • MILC (MILC collab) • 1992 – present • XX users worldwide

  4. Design Requirements • Science support • Portability • Efficiency • Versatility

  5. Typical Code Structure: MILC • Applications: • Lattice generation • Hadron spectrum • Weak matrix elements • (some tens of active projects) • Utilities: • Sparse matrix solvers • “Force” calculation • Eigensolvers • etc MILC Applications MILC Utilities I/O Comm LinAlg MPI

  6. SciDAC Integration Map Chroma Applications MILC Applications QOP QDP++ QDP/C MILC Utilities QMT I/O LinAlg Comm CPS Applications QIO QMP QLA CPS utilities MPI LinAlg I/O Comm QCDOC/SCU

  7. QOP Design • Critical utilities • Sparse matrix solvers • Quark and gluon force • Common API • Implemented for maximum efficiency • QCDOC version • QDP version

  8. QOP Design Sampler • Opaque data parallel objects specific to QOP e.g. • QOP_D3_GaugeField • QOP_F3_FermionLinksAsqtad • A raw format (plain array of floats) maps to QOP • flinks = QOP_F3_asqtad_create_L_from_raw( fatlinks, longlinks, QOP_EVEN); • Execution: Solve sparse system A x = b • QOP_F3_asqtad_invert(info, flinks, inv_arg, res_arg, mass, x, b);

  9. MILC Integration with SciDAC MILC Applications QOP QDP/C MILC Utilities I/O Comm LinAlg QIO QMP QLA MPI

  10. Benefits of Integration • Improves performance • give examples • Supports mixed precision • Heavily used • cite numbers • Improves MILC code structure

  11. SciDAC Package Usage • SciDAC facilities • FNAL cluster • JLab cluster • QCDOC • All NSF Teragrid sites: NCSA, PSC, SDSC, TACC, NICS • LLNL IBM Blue Gene/L • ANL IBM Blue Gene/P • ORNL Cray XT4

  12. SciDAC-II Ongoing Development • QIO: Added support for a common propagator file format • QLA: Further optimization • Compiler intrinsics • BLAS version for BG/L • comment on performance?? • QOP: Adding smart solvers, eigensolvers

  13. SciDAC Future Development • Our field is evolving rapidly in response to changing scientific objectives, improved algorithmic methods, and new hardware requirements. We are continually upgrading the SciDAC packages • HISQ algorithm support (with UKQCD) • Gauge force improvement • Multithreading • Heavy quark algorithm improvement

  14. Chroma Organization Chroma Applications QOP QDP++ Chroma kernels QIO QMP MPI

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