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Capacity and Capability Computing using Legion

Capacity and Capability Computing using Legion. Anand Natrajan ( anand@virginia.edu ) The Legion Project, University of Virginia ( http://legion.virginia.edu ). Capacity and Capability Computing. Capacity Computing: Conduct larger computational experiments by expending more resources

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Capacity and Capability Computing using Legion

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  1. Capacity and Capability Computing using Legion Anand Natrajan (anand@virginia.edu) The Legion Project, University of Virginia (http://legion.virginia.edu)

  2. Capacity and Capability Computing • Capacity Computing: Conduct larger computational experiments by expending more resources • single problem • multiple, independent problems • Capability Computing: Conduct experiments with new mechanisms • Heterogeneity • Security • Collaboration

  3. Grid Environment • Disjoint file systems • Disjoint namespaces • Multiple administration domains • Unpredictable load, availability, failures • Security problems • Computers • Networks • People • Data • Devices

  4. Wide-area High Performance Complexity Management Extensibility Security Site Autonomy Input / Output Heterogeneity Fault-tolerance Scalability Simplicity Single Namespace Resource Management Platform Independence Multi-language Legacy Support Grid OS Requirements

  5. Legion - A Grid OS

  6. MPI / PVM P-space studies - multi-run Parallel C++ Parallel object-based Fortran CORBA binding Object migration Accounting Remote builds and compilations Fault-tolerant MPI libraries Post-mortemdebugger Console objects Parallel 2D file objects Collections Licence support Tools

  7. Protein Folding with CHARMM Molecular Dynamics Simulations 100-200 structures to sample (r,Rgyr ) space r Rgyr

  8. Resources Available IBM SP3 UMich 375MHz Power3 24/24 HP SuperDome CalTech 440 MHz PA-8700 128/128 DEC Alpha UVa 533MHz EV56 32/128 IBM Blue Horizon SDSC 375MHz Power3 512/1184 Sun HPC 10000 SDSC 400MHz SMP 32/64 IBM Azure UTexas 160MHz Power2 32/64

  9. Transparent Remote Execution • User initiates “run” • User/Legion selects site • Legion copies binaries • Legion copies input files • Legion starts job(s) • Legion monitors progress • Legion copies output files

  10. Mechanics of CHARMM Runs Register binaries Legion Create task directories & specification Dispatch runs Dispatch more runs

  11. Types Of Applications • Legacy applications • Legion-aware applications • I/O library • 2D file object • Applications Using Stdgrid • Parameter Space Studies • Parallel Programs • MPI, PVM, MPL, Basic Fortran Support (BFS)

  12. Computing in the Near Future • Security • Fault-tolerance • Heterogeneity • Collaboration • … • Legion supports these and other needs

  13. Heterogeneous Runs BT-Med Ocean Model

  14. Cross-Organisation Collaboration • Different companies • Proprietary simulations and data • Each needs the other • Form virtual partnership

  15. Flexible Context Space Disk e ftp Directory NFS HTTP Samba FTP Context Context Context legion_export_dir legion_import_tree Disk Directory Context Directory Directory

  16. Interfaces • Samba, NFS, FTP, HTTP interfaces to distributed file system • Windows interface for file sharing • Command-line through Unix-like tools • Web interface through browser • Programmatic interfaces through system calls in C, C++, Fortran, Java

  17. Windows NT, 2K, 98, 95 Sun (Solaris) SGI (Irix, Origin) Intel (Linux, Free BSD) DEC (Unix, Linux) Cray (T90, T3E) IBM (AIX, SP-2) HP (HPUX) Nimrod Codine LoadLeveler Maui PBS NQS LSF Platforms

  18. Applications • Biochemistry and Molecular Science • Information Retrieval • Materials Science • Climate Modelling • Neuroscience • Aerospace • Astronomy • Graphics NPACI - SDSC, UCSD, Caltech, UTexas, Umich, UCB, UVa. DoD MSRCs - NAVO & ARL, NASA Ames

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