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Computational Science Issues for GEM

Given by Geoffrey C. Fox at GEM WorkShop Santa Fe on 24-25 October 97. Foils prepared 27 October 1997

We briefly discuss relevant features of the national scene
We state the computational problem for GEM and analyze parallel computing issues for key steps
We map into a particle dynamics analogy using Green's function formalism and consider O(N2) cut-off O(N) and fast multipole methods
We go in detail through the fast multipole method
We expect object oriented approaches to be very important booth at language level and in using technologies like CORBA to integrate world-wide collaboration, simulations and experiments.

This mixed presentation uses parts of the following base foilsets which can also be looked at on their own!
Master Set of Foils for GEM Computational Science Presentation
Overview of Fortran 90 and HPF Fall 96
General NPAC Foils-B starting June97(PowerPoint)

Table of Contents for Computational Science Issues for GEM

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Presentation at Santa Fe GEM Meeting Octobe 24 1997
1 Computational Science and the GEM Project GEM Workshop Santa Fe October 24-25 1997
2 Abstract of GEM Workshop Presentation on Computational Science
Some Remarks on HPCC
3 Some International HPCC Activities
4 Some Relevant Lessons from HPCC
5 New Initiatives of Current HPCC
6 Possible Special Features of Earthquake Simulation
Analysis of Computational structure of Green's Function Approach to GEM
7 Basic Computational Structure - I
8 Basic Computational Structure - II
9 Analysis of Computational Structure
10 First two Solutions of O(N2) Computational Complexity
11 Second two Solutions of O(N2) Computational Complexity
The Fast Multipole
12 Basic Idea of Fast Multipole Algorithm
13 Intermediate results of a computation of 322 million particles on ASCI Red
14 Intermediate results of a computation of 9.7 million particles on PC Cluster loki
15 Some Performance Results of Interest from Salmon and Warren
16 Hierarchical Breakup of 2D Space
17 Simple Illustration of Tree Data Structure
18 Tree Structure for 10,000 bodies centrally clustered in a disk
19 Generation of Tree for a small number of particles
20 3 Approximations to Force on a Particle in Fast Multipole Approach
21 Parallelism in O(N2) N Body Approach I
22 Parallelism in O(N2) N Body Approach II
23 Parallelism in Cut Off Force Approach
24 Problems in Cut off Force Parallelism
25 Example of Graphics Rendering
26 Generation of Keys in Salmon Warren Method
27 Generation of 3D Key for Salmon Warren
28 Parallelism in Salmon Warren Approach
29 Two Space Filling Curves
30 Morton Curve split up into 8 processors represented by different gray levels
31 Space Filling Curve chopped up into equal length parts
32 Parallel Algorithm in Fast Multipole I
33 Locally essential Data for Processor in Bottom Left Hand Corner of Processor Array
34 Parallel Algorithm in Fast Multipole II
General Remarks
35 Scaling Ideas in GEM
36 Lessons from Other Fields
Some Glimpse of relevance of Web and CORBA
37 General Web based Middle Tier Server Architecture
38 High Functionality Software Layer
39 Diagram of HPCORBA Architecture
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