1. Computational meshes, matrices, conjugate gradients, and mesh partitioning
Some slides are from David Culler, Jim Demmel, Bob Lucas, Horst Simon, Kathy Yelick, et al., UCB CS267
CS267 Lecture 2

2. Parallelism in Regular meshes
Computing a Stencil on a regular mesh
need to communicate mesh points near boundary to neighboring processors.
Often done with ghost regions
Surface-to-volume ratio keeps communication down, but
Still may be problematic in practice
Implemented using “ghost” regions.
Adds memory overhead

3. Irregular mesh: NASA Airfoil in 2D

4. Composite Mesh from a Mechanical Structure

5. Adaptive Mesh Refinement (AMR)
Adaptive mesh around an explosion
Refinement done by calculating errors
Parallelism
Mostly between “patches,” dealt to processors for load balance
May exploit some within a patch (SMP)

6. Adaptive Mesh
fluid density
Shock waves in a gas dynamics using AMR (Adaptive Mesh Refinement) See:

7. Irregular mesh: Tapered Tube (Multigrid)

8. Challenges of Irregular Meshes for PDE’s
How to generate them in the first place
E.g. Triangle, a 2D mesh generator by Jonathan Shewchuk
3D harder! E.g. QMD by Stephen Vavasis
How to partition them
ParMetis, a parallel graph partitioner
How to design iterative solvers
PETSc, a Portable Extensible Toolkit for Scientific Computing
Prometheus, a multigrid solver for finite element problems on irregular meshes
How to design direct solvers
SuperLU, parallel sparse Gaussian elimination
These are challenges to do sequentially, more so in parallel

9. Converting the Mesh to a Matrix

10. Sparse matrix data structure (stored by rows)31 53 59 41 26 31 53 59 41 26 1 3 2
Full:
2-dimensional array of real or complex numbers
(nrows*ncols) memory
Sparse:
compressed row storage
about (2*nzs + nrows) memory

11. Distributed row sparse matrix data structure
Each processor stores:
# of local nonzeros
range of local rows
nonzeros in CSR form P2 Pn

12. Conjugate gradient iteration to solve A*x=b
x0 = 0, r0 = b, d0 = r0
for k = 1, 2, 3, . . .
αk = (rTk-1rk-1) / (dTk-1Adk-1) step length
xk = xk-1 + αk dk approx solution
rk = rk-1 – αk Adk residual
βk = (rTk rk) / (rTk-1rk-1) improvement
dk = rk + βk dk search direction
One matrix-vector multiplication per iteration
Two vector dot products per iteration
Four n-vectors of working storage

13. Parallel Dense Matrix-Vector Product (Review)
y = A*x, where A is a dense matrix
Layout:
1D by rows
Algorithm:
Foreach processor j
Broadcast X(j)
Compute A(p)*x(j)
A(i) is the n by n/p block row that processor Pi owns
Algorithm uses the formula
Y(i) = A(i)*X = Sj A(i)*X(j)
P0 P1 P2 P3 x P0 P1 P2 P3 y

14. Parallel sparse matrix-vector product
Lay out matrix and vectors by rows
y(i) = sum(A(i,j)*x(j))
Only compute terms with A(i,j) ≠ 0
Algorithm
Each processor i:
Broadcast x(i)
Compute y(i) = A(i,:)*x
Optimizations
Only send each proc the parts of x it needs, to reduce comm
Reorder matrix for better locality by graph partitioning
Worry about balancing number of nonzeros / processor, if rows have very different nonzero counts x y P0 P1 P2 P3
P0 P1 P2 P3

15. Other memory layouts for matrix-vector product
Column layout of the matrix eliminates the broadcast
But adds a reduction to update the destination – same total comm
Blocked layout uses a broadcast and reduction, both on only sqrt(p) processors – less total comm
Blocked layout has advantages in multicore / Cilk++ too
P0 P1 P2 P3
P P1 P2 P3
P P5 P6 P7
P8 P9 P10 P11
P12 P13 P14 P15

16. Irregular mesh: NASA Airfoil in 2D

17. Graphs and Sparse Matrices
Sparse matrix is a representation of a (sparse) graph 3 2 4 1 5 6
Matrix entries are edge weights
Number of nonzeros per row is the vertex degree
Edges represent data dependencies in matrix-vector multiplication

18. Graph partitioning Assigns subgraphs to processors
Determines parallelism and locality.
Tries to make subgraphs all same size (load balance)
Tries to minimize edge crossings (communication).
Exact minimization is NP-complete.
edge crossings = 6
edge crossings = 10
Nodes and edges in graph may be weighted
Optimal graph partitioning is NP-complete (define for non-CS audience)
Good graph partitioning techniques exist
More on this in a later lecture
CS267 Lecture 2

19. Link analysis of the web1 5 2 3 4 6 7 1 2 3 4 7 6 5
Web page = vertex
Link = directed edge
Link matrix: Aij = 1 if page i links to page j

20. Web graph: PageRank (Google) [Brin, Page]
An important page is one that many important pages point to.
Markov process: follow a random link most of the time; otherwise, go to any page at random.
Importance = stationary distribution of Markov process.
Transition matrix is p*A + (1-p)*ones(size(A)), scaled so each column sums to 1.
Importance of page i is the i-th entry in the principal eigenvector of the transition matrix.
But the matrix is 1,000,000,000,000 by 1,000,000,000,000.

21. A Page Rank Matrix Importance ranking of web pages
Stationary distribution of a Markov chain
Power method: matvec and vector arithmetic
Matlab*P page ranking demo (from SC’03) on a web crawl of mit.edu (170,000 pages)

22. Social Network Analysis in Matlab: 1993
Co-author graph from Householder symposium

23. Social Network Analysis in Matlab: 1993
Sparse Adjacency Matrix
Which author has the most collaborators?
>>[count,author] = max(sum(A))
count = 32
author = 1
>>name(author,:)
ans = Golub

24. Social Network Analysis in Matlab: 1993
Have Gene Golub and Cleve Moler ever been coauthors?
>> A(Golub,Moler)
ans = 0
No.
But how many coauthors do they have in common?
>> AA = A^2;
>> AA(Golub,Moler)
ans = 2
And who are those common coauthors?
>> name( find ( A(:,Golub) .* A(:,Moler) ), :)
ans =
Wilkinson
VanLoan