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Capacity and Capability Computing using Legion Anand Natrajan ( anand@virginia.edu ) The Legion Project, University of Virginia ( http://legion.virginia.edu )
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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
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Grid Environment Computers Networks People Data Devices Disjoint file systems Disjoint namespaces Multiple administration domains Unpredictable load, availability, failures Security problems
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Grid OS Requirements 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
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Legion - A Grid OS
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Tools 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-mortem debugger Console objects Parallel 2D file objects Collections Licence support
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Protein Folding with CHARMM Molecular Dynamics Simulations 100-200 structures to sample (r,R gyr ) space R gyr
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IBM Blue Horizon SDSC 375MHz Power3 512/1184 IBM Blue Horizon SDSC 375MHz Power3 512/1184 Resources Available HP SuperDome CalTech 440 MHz PA-8700 128/128 HP SuperDome CalTech 440 MHz PA-8700 128/128 IBM SP3 UMich 375MHz Power3 24/24 IBM SP3 UMich 375MHz Power3 24/24 IBM Azure UTexas 160MHz Power2 32/64 IBM Azure UTexas 160MHz Power2 32/64 Sun HPC 10000 SDSC 400MHz SMP 32/64 Sun HPC 10000 SDSC 400MHz SMP 32/64 DEC Alpha UVa 533MHz EV56 32/128 DEC Alpha UVa 533MHz EV56 32/128
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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
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Mechanics of CHARMM Runs Legion Register binaries Create task directories & specification Dispatch runs Dispatch more runs
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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)
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Computing in the Near Future Security Fault-tolerance Heterogeneity Collaboration … Legion supports these and other needs
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Heterogeneous Runs BT-Med Ocean Model
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Cross-Organisation Collaboration Different companies Proprietary simulations and data Each needs the other Form virtual partnership
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Flexible Context Space Context Directory Disk e ftp legion_export_dir legion_import_tree Samba NFSHTTP FTP
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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
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Platforms 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
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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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