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Secrets of Supercomputing The Conservation Laws Supercomputing Challenge Kickoff October 21-23, 2007 I. Background to Supercomputing II. Get Wet! With the Shallow Water Equations Bob Robey - Los Alamos National Laboratory Randy Roberts – Los Alamos National Laboratory Cleve Moler -- Mathworks LA-UR-07-6793 Approved for public release; distribution is unlimited
Introductions ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Conservation Laws ,[object Object],[object Object],[object Object],[object Object],[object Object],Leveque, Randall, Numerical Methods for Conservation Laws Leveque, Randall, Finite Volume Methods for Hyperbolic Problems CLAWPACK  http://www.amath.washington.edu/~claw/ Tsunamiclaw http://www.math.utah.edu/~george/tsunamiclaw.html Conserved variable Change
I. Intro to Supercomputing ,[object Object],[object Object],[object Object],[object Object],[object Object]
II. Calculus Quickstart Decoding the Language of Wizards
Calculus Quickstart Goals ,[object Object],[object Object],[object Object],[object Object]
Calculus Terminology ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Matrix Notation The first set of terms are state variables at time t and usually called U. The second set of terms are the flux variables in space x and usually referred to as F. This is just a system of equations a + c = 0 b + d = 0 U F
[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Patterns for Parallel Programming Patterns for Parallel Programming, Mattson, Sanders, and Massingill, 2005
Writing a Program Data Parallel Model Serial operations are done on  every   processor so that  replicated data  is the same on every processor.  This may seem like a waste of work, but it is easier than synchronizing data values. Sections of  distributed data  are “owned” by each processor. This is where the parallel speedups occur. Often ghost cells around each processor’s data is a way to handle communication. P(400) – distributed Ptot -- replicated Proc 1 P(1-100) Ptot Proc 2 P(101-200) Ptot Proc 3 P(201–300) Ptot Proc 4 P(301-400) Ptot
2007-2008 Sample Supercomputing Project ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],Evaluate Us!!
Get Wet!  With the Shallow Water Equations ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Output from a shallow water equation model of water in a bathtub. The water experiences 5 splashes which generate surface gravity waves that propagate away from the splash locations and reflect off of the bathtub walls. Wikipedia commons, Author  Dan  Copsey Go to shallow water movie.  http:// en.wikipedia.org/wiki/Image:Shallow_water_waves.gif
Mathematical Equations Mathematical Model Conservation of Mass Conservation of Momentum Shallow Water Equations Notes: mass equals height because width, depth and density are all constant h -> height u -> velocity g -> gravity References: Leveque, Randall, Finite Volume Methods for Hyperbolic Problems, p. 254 Note: Force term, Pressure P=½gh 2
Shallow Water Equations Matrix Notation The maximum time step is calculated so as to keep a wave from completely crossing a cell.
Numerical Model ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
The Lax-Wendroff Method Half Step Whole Step Explanation graphic courtesy of Jon Robey and Dov Shlacter, 2006-2007 Supercomputing Challenge
Explanation of Lax-Wendroff Model Physical model Original Half-step Full step t i t+1 i t+.5 i+.5 Explanation graphic courtesy of Jon Robey and Dov Shlacter, 2006-2007 Supercomputing Challenge. See appendix for 2D index explanation. Ghost cell Data assumed to be at the center of cell. Space index
Extension to 2D ,[object Object],[object Object],[object Object]
2D Shallow Water Equations Note the addition of fluxes in the y direction and a flux cross term in the momentum equation. The U, F, and G are shorthand for the numerical equations on the next slide. The U terms are the state variables. F and G are the flux terms in x and y. U F G
The Lax-Wendroff Method Half Step Whole Step
2D Shallow Water Equations Transformed for Programming Letting H = h, U = hu and V = hv so that our main variables are the state variables in the first column gives the following set of equations. H is height (same as mass for constant width, depth and density)  U is x momentum (x velocity times mass) V is y momentum (y velocity times mass)
Sample Programs ,[object Object],[object Object]
Programming Tools Three options ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Initial Conditions and Boundary Conditions ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Results/Conclusions ,[object Object],[object Object],[object Object],[object Object],[object Object]
Acknowledgements ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Lab Exercises ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Java Wave Structure ,[object Object],[object Object],[object Object],[object Object],[object Object]
Java Wave Structure (continued) ‏ ,[object Object],[object Object]
Java Wave Program Flow ,[object Object],[object Object],[object Object],[object Object]
Java Wave Iteration Flow ,[object Object],[object Object],[object Object],[object Object]
Java Threads ,[object Object],[object Object]
Java Threads (continued) ‏ ,[object Object],[object Object],[object Object],[object Object]
C/MPI Program Diagram Update Boundary Cells MPI Communication External Boundaries First Pass x half step y half step Second Pass Swap new/old Graphics Output Conservation Check Calculate Runtime Close Display, MPI & exit Allocate memory Set Initial Conditions Initial Display Repeat
MPI Quick Start ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Setup ,[object Object],[object Object],[object Object],[object Object]
Setting up Software Instructions in the README file ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Lab Exercises ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Appendix A. Calculus and Supercomputing ,[object Object],[object Object],[object Object]
Add Complexity ,[object Object],[object Object],[object Object],[object Object],[object Object]
Divide and Conquer ,[object Object],[object Object],[object Object],∑  -- Summation symbol ∆  -- delta symbol or x 2 -x 1
Divide and Conquer ,[object Object],[object Object],[object Object],[object Object]
Derivative Calculus Describing Change ,[object Object]
Appendix B. Computational Methods ,[object Object],[object Object]
Two Main Approaches to Divide up Problem ,[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object],[object Object]
Eulerian ,[object Object],[object Object]
Explicit versus Implicit ,[object Object],[object Object],[object Object]
Appendix C Index Explanation for 2D Lax Wendroff
Programming ,[object Object],[object Object],[object Object]
0,0 --  1,0 | 1,1 j,i  --  j+1,i | j+1,i+1 0,0 --  0,1 | 1,1 j,i  --  j,i+1 | j+1,i+1 1 st  Pass y y y y y y y y y y y y x x x x x x x x x x x x 0 1 2 3 4 j 0 1 2 3 4 i X step grid Main grid Y step grid Main grid
1,1 1,1 --  0,0 | 1,0 --  0,0 | 0,1 j,i  --  j-1,i-1 | j,i-1 j,i  --  j-1,i-1 | j-1,i 2 nd  Pass y y y y y y y y y y y y x x x x x x x x x x x x 0 1 2 3 4 j 0 1 2 3 4 i Main grid X step grid Main grid Y step grid

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Secrets of supercomputing

  • 1. Secrets of Supercomputing The Conservation Laws Supercomputing Challenge Kickoff October 21-23, 2007 I. Background to Supercomputing II. Get Wet! With the Shallow Water Equations Bob Robey - Los Alamos National Laboratory Randy Roberts – Los Alamos National Laboratory Cleve Moler -- Mathworks LA-UR-07-6793 Approved for public release; distribution is unlimited
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  • 5. II. Calculus Quickstart Decoding the Language of Wizards
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  • 8. Matrix Notation The first set of terms are state variables at time t and usually called U. The second set of terms are the flux variables in space x and usually referred to as F. This is just a system of equations a + c = 0 b + d = 0 U F
  • 9.
  • 10. Writing a Program Data Parallel Model Serial operations are done on every processor so that replicated data is the same on every processor. This may seem like a waste of work, but it is easier than synchronizing data values. Sections of distributed data are “owned” by each processor. This is where the parallel speedups occur. Often ghost cells around each processor’s data is a way to handle communication. P(400) – distributed Ptot -- replicated Proc 1 P(1-100) Ptot Proc 2 P(101-200) Ptot Proc 3 P(201–300) Ptot Proc 4 P(301-400) Ptot
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  • 13. Output from a shallow water equation model of water in a bathtub. The water experiences 5 splashes which generate surface gravity waves that propagate away from the splash locations and reflect off of the bathtub walls. Wikipedia commons, Author Dan Copsey Go to shallow water movie. http:// en.wikipedia.org/wiki/Image:Shallow_water_waves.gif
  • 14. Mathematical Equations Mathematical Model Conservation of Mass Conservation of Momentum Shallow Water Equations Notes: mass equals height because width, depth and density are all constant h -> height u -> velocity g -> gravity References: Leveque, Randall, Finite Volume Methods for Hyperbolic Problems, p. 254 Note: Force term, Pressure P=½gh 2
  • 15. Shallow Water Equations Matrix Notation The maximum time step is calculated so as to keep a wave from completely crossing a cell.
  • 16.
  • 17. The Lax-Wendroff Method Half Step Whole Step Explanation graphic courtesy of Jon Robey and Dov Shlacter, 2006-2007 Supercomputing Challenge
  • 18. Explanation of Lax-Wendroff Model Physical model Original Half-step Full step t i t+1 i t+.5 i+.5 Explanation graphic courtesy of Jon Robey and Dov Shlacter, 2006-2007 Supercomputing Challenge. See appendix for 2D index explanation. Ghost cell Data assumed to be at the center of cell. Space index
  • 19.
  • 20. 2D Shallow Water Equations Note the addition of fluxes in the y direction and a flux cross term in the momentum equation. The U, F, and G are shorthand for the numerical equations on the next slide. The U terms are the state variables. F and G are the flux terms in x and y. U F G
  • 21. The Lax-Wendroff Method Half Step Whole Step
  • 22. 2D Shallow Water Equations Transformed for Programming Letting H = h, U = hu and V = hv so that our main variables are the state variables in the first column gives the following set of equations. H is height (same as mass for constant width, depth and density) U is x momentum (x velocity times mass) V is y momentum (y velocity times mass)
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  • 35. C/MPI Program Diagram Update Boundary Cells MPI Communication External Boundaries First Pass x half step y half step Second Pass Swap new/old Graphics Output Conservation Check Calculate Runtime Close Display, MPI & exit Allocate memory Set Initial Conditions Initial Display Repeat
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  • 48.
  • 49. Appendix C Index Explanation for 2D Lax Wendroff
  • 50.
  • 51. 0,0 -- 1,0 | 1,1 j,i -- j+1,i | j+1,i+1 0,0 -- 0,1 | 1,1 j,i -- j,i+1 | j+1,i+1 1 st Pass y y y y y y y y y y y y x x x x x x x x x x x x 0 1 2 3 4 j 0 1 2 3 4 i X step grid Main grid Y step grid Main grid
  • 52. 1,1 1,1 -- 0,0 | 1,0 -- 0,0 | 0,1 j,i -- j-1,i-1 | j,i-1 j,i -- j-1,i-1 | j-1,i 2 nd Pass y y y y y y y y y y y y x x x x x x x x x x x x 0 1 2 3 4 j 0 1 2 3 4 i Main grid X step grid Main grid Y step grid