High Performance and Grid Computing Applications with the Cactus Framework. HPCC Program Grand Challenges (1995)

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1 High Performance and Grid Computing Applications with the Cactus Framework Gabrielle Allen Department of Computer Science Center for Computation & Technology Louisiana State University HPCC Program Grand Challenges (1995) Aerospace Environmental Modeling Molecular Biology Product Design Space Science: Black Hole Binaries, Gravitational Waves, Galaxy Formation Quantum Chromodynamics Oil Reservoir Modeling Fusion Computational Chemistry Global Climate 1

2 Cactus Framework Programming framework and toolkits for high performance multi-dimensional simulations Parallel: Scales to thousands of processors Open Source Modular, extremely portable Targeted at collaborative development Designed for scientists and engineers with Grand Challenge problems Incorporate and drive new and cutting edge technologies What is Difficult About HPC? (Where Does Cactus Help?) Many different architectures & operating systems, changing very rapidly Must worry about many things: Single processor performance, caches, etc Different languages, operating systems Parallelism, I/O, Visualization Batch systems, file systems, allocations Portability: compilers, datatypes Tools: debuggers, monitoring, performance And now: High Speed Networks and Grids 2

3 Computational Science Needs Complex real world problems require an incredible mix of technologies & expertise! Many different scientific & engineering components Many numerical algorithm components Finite difference, Finite volume, Finite elements, Spectral,? Elliptic equations: multigrid, Krylov subspace,? Mesh refinement? Require large geo-distributed crossdisciplinary collaborations Cactus User Community Using and Developing Scientific Thorns AEI LSU Southampton Wash U RIKEN TAC Penn State Thessaloniki Chemical Engineering (U.Kansas) JPL Tuebingen Austin EU Astrophysics Network Brownsville German SFB Consortium CFD (LSU) Goddard Astrophysical Hydrodynamics (LSU) SISSA NASA Neutron Star Grand Challenge Damage Mechanics (LSU) Geophysics (Stanford) Portsmouth Quantum Gravity (Hamilton) Crack Prop. (Cornell) Climate Modeling (NASA, Netherlands) Bio-Informatics (LSU, Bio-Grid, Canada) Early Universe (LBL) Astrophysics (Zeus) 3

4 Cactus Developer Community Developing Computational Infrastructure LSU Cactus Team Lawrence Berkeley Laboratory Washington University Clemson Albert Einstein Institute TAC Cactus User Community University Of Kansas Hamilton College Argonne National Laboratory GridLab Tuebingen NCSA EGrid Compaq Sun Microsoft SGI Konrad-Zuse Zentrum Intel University Of Chicago External Funding: NSF, Max Planck Gesellschaft, Deutsches Forschungsnetz, DOE, NASA, NCSA, European Commission Grand Vision Remote Viz in St Louis Remote Viz and steering from Baton Rouge Remote monitoring from airport Viz of data in SF café T3E: Garching Origin: NCSA Grid enabled Cactus runs on distributed machines Simulations composed & launched from Cactus Portal 4

5 Remote Monitoring & Steering HTTPD module: any simulation may act as its own web server Communicate with simulation using any browser Monitor, steer, visualize, collaborate Demo at Collaboration focal point for a virtual organization Interact, share data Start jobs on remote resources Move/browse files Track and monitor announced jobs Access to new Grid technologies Cactus Portal 5

6 Notification SMS Server Cactus Portal The Grid Mail Server Cactus IO and Viz Many Cactus apps have large scale data needs: O(TeraBytes) Currently support: 1-D, 2-D, 3-D: to screen, ASCII, FlexIO, HDF5, Streaming HDF5, Panda parallel IO, Jpegs, Isosurfaces, Geodesics Remote viz, streaming data Downsampling and Zooming Checkpointing and Recovery 6

7 Remote Visualization & Steering HTT P Remote Viz data Streaming HDF5 Autodownsample Remote Viz data Cactus Worm: SC2000 Cactus simulation starts, launched from portal Migrates itself to another site Registers new location User tracks/steers, using http, streaming data, etc Continues around Europe 7

8 Dynamic Adaptive Distributed Computation 17 SDSC IBM SP 1024 procs 5x12x17 = OC-12 line (But only 2.5MB/sec) NCSA Origin Array x12x(4+2+2) =480 GigE:100MB/sec Cactus + MPICH-G2 Communications dynamically adapt to application and environment Any Cactus application Scaling: 15% -> 85% Gordon Bell Prize (With U. Chicago/Northern, Supercomputing 2001, Denver) SC2001: Spawning on ARG Testbed Main Cactus BH Simulation starts here Appropriate analysis tasks spawned automatically to free resources worldwide User only has to invoke Cactus Spawner thorn 8

9 SC2002: Task Farming Main Cactus BH Simulation started in California Dozens of low resolution jobs sent out to test parameters Data returned steers main job Huge job generates remote data to be visualized in Baltimore Future Dynamic Grid Computing: New Scenarios LRZ 9

10 GridLab EU Project, $7M, 14 sites Motivated by previous Grid experiments with Cactus Developing a Grid Application Toolkit (GAT) co-development of infrastructure with real applications & users dynamic use of grids, selfaware simulations adapting to their changing environment. Cactus is driving application! Finally: Cactus: Tom Goodale (CCT), Yaakoub Y El Khamra (CCT), Dylan Stark (CCT), Thomas Radke (AEI), Jonathan Thornburg (AEI), John Shalf (LBL), Paul Walker, Joan Masso, Thomas Dramlitsch, Gerd Lanfermann + others Links: Cactus: GriKSL: GridSphere: GridLab: 10