scaling complex applications — theoretical and computational 缩放复杂应用的理论和计算.pptVIP

Introduction to Parallel Computing Issues Laxmikant Kale Parallel Programming Laboratory Dept. of Computer Science And Theoretical Biophysics Group Beckman Institute University of Illinois at Urbana Champaign Outline Parallel Computing: Challenges and Opportunities Survey of CPU speeds trends Trends: parallel machines Trends: Clusters Challenges: Communication costs Memory Performance Complex algorithms Parallel Performance issues Virtualization Principle of persistence, Measurementt load balancing Case Studies: NAMD parallelization Scalability Analysis of other approaches NAMD approach: Hybrid decomposition Virtual processors Performance Optimizations Car-Parinello ab Initio MD Algorithm Parallelization strategy Initial results Overview and Objective What is parallel computing What opportunities and challenges are presented by parallel computing technology Focus on basic understanding of issues in parallel computing CPU speeds continue to increase Current speeds: 3 Ghz on PCs I.e. 330 picosecond for each cycle 2 floating point operations each cycle On some processors, it is 4 per cycle Implications We can do a lot more computation in a reasonable time period Do we say “that’s enough”? No! It just brings new possibilities within feasibility horizon Parallel Computing Opportunities Parallel Machines now With thousands of powerful processors, at national centers ASCI White, PSC Lemieux Power: 100GF – 5 TF (5 x 1012) Floating Points Ops/Sec Japanese Earth Simulator 30-40 TF! Future machines on the anvil IBM Blue Gene / L 128,000 processors! Will be ready in 2004 Petaflops around the corner Clusters Everywhere Clusters with 32-256 processors commonplace in research labs Attraction of clusters Inexpensive Latest processors Easy to put them together: session this afternoon Desktops in a cluster “Use wasted CPU power” Parallel Applications Opportunities Unprecedented opportunities for breakthroughs Rational Drug Design Molecular machines and nanotechnology Optimi