Grand Challenges in Simulation Dagstuhl August Positioning Alberta Globally

Transcription

1 i Grand Challenges in Simulation Dagstuhl August 2002 Positioning Alberta Globally

2 Canada s Advanced Internet: CA*net4 Edmonton Prince George Saskatoon Vancouver Kamloops Victoria Seattle Spokane Calgary Regina CA*net 4 Node Mini-IX Possible Future Breakout Possible Future link or Option CA*net 4 OC192 Winnipeg Minneapolis Thunder Bay Chicago Toronto London Windsor Sudbury Halifax Quebec City Montreal Ottawa Hamilton Kingston Buffalo New York Fredericton Albany Charlottetown St. John's Halifax

3 NeteraNet Fort McMurray Grand Prairie U of A NAIT IP Traffic MACI MPEG2 Video Future Banff CA*net3 U of C U of L SAIT CRHA Medicine Hat World s First: 370Km four channel Gigabit Ethernet

4 NeteraNet / CA*net4 Lightpaths

5 Example WestGrid Lightpaths

6 The Challenge Many Research Teams with Diverse Needs Computer Science, Chemistry, Earth and Ocean Science, Engineering, Life Sciences, Physics, Mathematics, Visualization, Remote Collaboration SMMP, CluMP, Cluster (capacity vs capability) Rapidly Changing Environment Growing & Changing Demand Changing HPC Solutions Increasing need for enhanced Collaboration Tools Individual institutions cannot meet these needs

7 The Solution Working together: 8 institutions, 2 provinces, 250 faculty researchers Institutional commitments: cash, infrastructure and support staff Contributions by industry Complementary, shared, cost-effective resources Researchers supported by collaboration, visualization and highly qualified personnel Build on a strong track record of sharing, resource utilization and project management

8 The Team Co-PIs Key Contributors Jonathan Borwein (SFU) Kelly Booth (UBC) Gren Patey (UBC) Harold Esche (UC) Jonathan Schaeffer (UA) Ken Hewitt (Netera) Brian Unger (UC) Seamus O Shea (UL) Mike Vetterli (TRIUMF) Rob Simmonds (UC) Christoph Sensen (UC) 50 co-applicants, 250 faculty researchers $34 million in HPC facilities

9 Grid Infrastructure Uniform access to HPC resources single sign-on, common submission interface system wide accounting distributed computing Uniform access to data support file-catalogues and GridFTP Common grid infrastructure consistent environment supporting gridapplications and application portals e.g., Abacus, Gaussian, Matlab, Maple, ADF,

10 The Community Grid Model Roll your own SW but agree on interfaces, service architecture, standards NPACI, TeraGrid Grid Applications Grid Applications NPACI User-focused Grid grid middleware, Middleware tools, and services Common Infrastructure layer (NMI, GGF standards, OGSA etc.) Grid Resources NATIONAL PARTNERSHIP FOR ADVANCED COMPUTATIONAL INFRASTRUCTURE SAN DIEGO SUPERCOMPUTER CENTER, UCSD

11 The Vision LEGEND Grid Storage Scientific Visualization Advanced Collaboration Computational Resources

12 Computational Facilities High Performance Computing Large shared memory system (SMMP) Cluster of multi-processors (CluMP) Commodity Cluster Genematcher 2 Distributed Storage Local and centralized Storage wide area network Collaborative Environments GridRooms; GridStations Visualization flexible acquisition strategies

13 Subatomic Physics (Vetterli, Rodning, ) The goal of Subatomic Physics is to identify the building blocks of Matter and to determine their interactions. Explosion of data from new experiments at TRIUMF & abroad x10 increase in computing & storage. Example: TWIST Search for new physics Beyond the Standard Model State-of-the-art measurement of the decay parameters of the muon 70 Terabytes/year of data; 20 Terabytes/year of simulations 125 cpu s for analysis & simulation

14 Optimal Multiple Sequence Alignment (Schaeffer) Research Analysis of proteins in a cell can identify similarities and differences among species Heuristic methods approximate a good alignment for multiple DNA sequences, such as 10 sequences with 1000 base pairs which requires 10^30 computations Biologists are interested in longer sequences QuickTime and a decompressor are needed to see this picture. HPC Requirements The program is memory intensive and most effective on a parallel, shared memory computer Now testing the program for a variety of researchers, including Toronto s Sick Children s Hospital

15 Computational Design of Catalysts (Ziegler) Design of transition metal catalysts that can transform hydrocarbons, olefins, O 2 and N 2 into valuable chemicals and new materials. WestGrid facilities will allow a major step forward with the inclusion of all factors into the simulation (solvent, dynamics and steric bulk) Example: Polymerization of olefin to produce plastics with different structures and properties. Olefin Polymerization

16 UofA Immersive Virtual Meeting (Boulanger) Goal: create a general human-machine interface allowing engineers and scientists to communicate their design and visualize remote data, producing the equivalent of a virtual meeting place. Live Stereo Texture and sound Virtual Actuators Collaborative Object And Data Manipulations and Interactions CAD Model or Scientific Data

17 Black Hole Collisions (Choptuik) Research: Accurate simulation of the gravitational wave signals produced by colliding black holes. Such signals are apt to be detected in the near future by gravitational wave detectors such as LIGO. Example: The animation shows the head-on collision of two equal-mass black holes which are formed from the gravitational collapse of blobs of matter early on in the simulation. QuickTime and a decompressor are needed to see this picture. Realistic case requires an increase in cpu power by orders of magnitude

18 Internet Modeling & Design (Unger & Simmonds) Research parallel & distributed simulation on shared and distributed memory simulation & emulation of advanced internets HPC requirements spectrum of multiprocessor platform architectures exclusive access to small through very large HPC platforms is required an average of 4 hours/week

19 Modeling Approaches Networks ATC Systems Cellular Systems Brain Systems Analytic Models Synthetic Models

20 Brian Unger President & CEO Alberta Informatics Circle of Research Excellence