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James Demmel www.cs.berkeley.edu/~demmel/cs267_Spr14 CS 267 Dense Linear Algebra: History and Structure, Parallel Matrix Multiplication James Demmel www.cs.berkeley.edu/~demmel/cs267_Spr14.

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Presentation on theme: "James Demmel www.cs.berkeley.edu/~demmel/cs267_Spr14 CS 267 Dense Linear Algebra: History and Structure, Parallel Matrix Multiplication James Demmel www.cs.berkeley.edu/~demmel/cs267_Spr14."— Presentation transcript:

1 James Demmel www.cs.berkeley.edu/~demmel/cs267_Spr14
CS 267 Dense Linear Algebra: History and Structure, Parallel Matrix Multiplication James Demmel 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

2 Outline History and motivation Why minimize communication?
Lower bound on communication Structure of the Dense Linear Algebra motif What does A\b do? Parallel Matrix-matrix multiplication Attaining the lower bound Proof of the lower bound (if time) Parallel Gaussian Elimination (next lecture) 02/27/2014 CS267 Lecture 12

3 Outline History and motivation Why minimize communication?
Lower bound on communication Structure of the Dense Linear Algebra motif What does A\b do? Parallel Matrix-matrix multiplication Attaining the lower bound Proof of the lower bound (if time) Parallel Gaussian Elimination (next lecture) 02/27/2014 CS267 Lecture 12

4 Motifs The Motifs (formerly “Dwarfs”) from
“The Berkeley View” (Asanovic et al.) Motifs form key computational patterns

5 What is dense linear algebra?
Not just matmul! Linear Systems: Ax=b Least Squares: choose x to minimize ||Ax-b||2 Overdetermined or underdetermined Unconstrained, constrained, weighted Eigenvalues and vectors of Symmetric Matrices Standard (Ax = λx), Generalized (Ax=λBx) Eigenvalues and vectors of Unsymmetric matrices Eigenvalues, Schur form, eigenvectors, invariant subspaces Standard, Generalized Singular Values and vectors (SVD) Different matrix structures Real, complex; Symmetric, Hermitian, positive definite; dense, triangular, banded … Level of detail Simple Driver (“x=A\b”) Expert Drivers with error bounds, extra-precision, other options Lower level routines (“apply certain kind of orthogonal transformation”, matmul…) 02/27/2014 CS267 Lecture 13

6 A brief history of (Dense) Linear Algebra software (1/7)
In the beginning was the do-loop… Libraries like EISPACK (for eigenvalue problems) Then the BLAS (1) were invented ( ) Standard library of 15 operations (mostly) on vectors “AXPY” ( y = α·x + y ), dot product, scale (x = α·x ), etc Up to 4 versions of each (S/D/C/Z), 46 routines, 3300 LOC Goals Common “pattern” to ease programming, readability Robustness, via careful coding (avoiding over/underflow) Portability + Efficiency via machine specific implementations Why BLAS 1 ? They do O(n1) ops on O(n1) data Used in libraries like LINPACK (for linear systems) Source of the name “LINPACK Benchmark” (not the code!) 02/27/2014 CS267 Lecture 12

7 Current Records for Solving Dense Systems (11/2013)
Linpack Benchmark Fastest machine overall ( Tianhe-2 (Guangzhou, China) 33.9 Petaflops out of 54.9 Petaflops peak (n=10M) 3.1M cores, of which 2.7M are accelerator cores Intel Xeon E (Ivy Bridge) and Xeon Phi 31S1P 1 Pbyte memory 17.8 MWatts of power, 1.9 Gflops/Watt Tianhe = Milky Way Fraction of peak = 33.9/54.9 = 62% Time = (2/3)*10M^3 / 33.9 Pflops = 5.5 hours Previous years: 2012: 18 PF out of 27 PF = 66% for Titan at ORNL 2011: 10 PF out of 11 PF = 90% for K-computer at Riken, Japan Xeon E – 12 core, Xeon Phi 31S1P – 57 cores (Intel’s answer to GPUs) Historical data ( Palm Pilot III 1.69 Kiloflops n = 100 02/27/2014 CS267 Lecture 12

8 A brief history of (Dense) Linear Algebra software (2/7)
But the BLAS-1 weren’t enough Consider AXPY ( y = α·x + y ): 2n flops on 3n read/writes Computational intensity = (2n)/(3n) = 2/3 Too low to run near peak speed (read/write dominates) Hard to vectorize (“SIMD’ize”) on supercomputers of the day (1980s) So the BLAS-2 were invented ( ) Standard library of 25 operations (mostly) on matrix/vector pairs “GEMV”: y = α·A·x + β·x, “GER”: A = A + α·x·yT, “TRSV”: y = T-1·x Up to 4 versions of each (S/D/C/Z), 66 routines, 18K LOC Why BLAS 2 ? They do O(n2) ops on O(n2) data So computational intensity still just ~(2n2)/(n2) = 2 OK for vector machines, but not for machine with caches 02/27/2014 CS267 Lecture 12

9 A brief history of (Dense) Linear Algebra software (3/7)
The next step: BLAS-3 ( ) Standard library of 9 operations (mostly) on matrix/matrix pairs “GEMM”: C = α·A·B + β·C, C = α·A·AT + β·C, C = T-1·B Up to 4 versions of each (S/D/C/Z), 30 routines, 10K LOC Why BLAS 3 ? They do O(n3) ops on O(n2) data So computational intensity (2n3)/(4n2) = n/2 – big at last! Good for machines with caches, other mem. hierarchy levels How much BLAS1/2/3 code so far (all at Source: 142 routines, 31K LOC, Testing: 28K LOC Reference (unoptimized) implementation only Ex: 3 nested loops for GEMM Lots more optimized code (eg Homework 1) Motivates “automatic tuning” of the BLAS Part of standard math libraries (eg AMD ACML, Intel MKL) 02/27/2014 CS267 Lecture 12

10 02/25/2009 CS267 Lecture 8

11 A brief history of (Dense) Linear Algebra software (4/7)
LAPACK – “Linear Algebra PACKage” - uses BLAS-3 (1989 – now) Ex: Obvious way to express Gaussian Elimination (GE) is adding multiples of one row to other rows – BLAS-1 How do we reorganize GE to use BLAS-3 ? (details later) Contents of LAPACK (summary) Algorithms that are (nearly) 100% BLAS 3 Linear Systems: solve Ax=b for x Least Squares: choose x to minimize ||Ax-b||2 Algorithms that are only 50% BLAS 3 Eigenproblems: Find l and x where Ax = l x Singular Value Decomposition (SVD) Generalized problems (eg Ax = l Bx) Error bounds for everything Lots of variants depending on A’s structure (banded, A=AT, etc) How much code? (Release 3.5.0, Nov 2013) ( Source: 1740 routines, 704K LOC, Testing: 1096 routines, 467K LOC Ongoing development (at UCB and elsewhere) (class projects!) Next planned release Mar 2014 How much code from release 3.5.0 LOC from SRC, TESTING/{EIG,LIN,MATGEN} only SRC = 1740 routines + 704K LOC EIG = routines + 174K LOC LIN = routines K LOC MATGEN = 74 routines + 34K LOC all TESTING = 1096 routines + 467K LOC CS267 Lecture 2 02/21/2012 CS267 Lecture 11

12 A brief history of (Dense) Linear Algebra software (5/7)
Is LAPACK parallel? Only if the BLAS are parallel (possible in shared memory) ScaLAPACK – “Scalable LAPACK” (1995 – now) For distributed memory – uses MPI More complex data structures, algorithms than LAPACK Only (small) subset of LAPACK’s functionality available Details later (class projects!) All at 02/27/2014 CS267 Lecture 12

13 Success Stories for Sca/LAPACK (6/7)
Widely used Adopted by Mathworks, Cray, Fujitsu, HP, IBM, IMSL, Intel, NAG, NEC, SGI, … 7.5M Netlib (incl. CLAPACK, LAPACK95) New Science discovered through the solution of dense matrix systems Nature article on the flat universe used ScaLAPACK Other articles in Physics Review B that also use it 1998 Gordon Bell Prize 7.5M downloads in 2012 These are two cover stories that direct results of numerical tools supported by NPACI. SuperLU is a sparse linear system solver, and ScaLAPACK is a dense and band solver for linear systems, least squares problems, eigenvalue problems, and singular value problems. There are other more recent articles in places has Phys Rev B that use ScaLAPACK as well. Cosmic Microwave Background Analysis, BOOMERanG collaboration, MADCAP code (Apr. 27, 2000). ScaLAPACK 02/27/2014 CS267 Lecture 12

14 A brief future look at (Dense) Linear Algebra software (7/7)
PLASMA, DPLASMA and MAGMA (now) Ongoing extensions to Multicore/GPU/Heterogeneous Can one software infrastructure accommodate all algorithms and platforms of current (future) interest? How much code generation and tuning can we automate? Details later (Class projects!) (icl.cs.utk.edu/{{d}plasma,magma}) Other related projects Elemental (libelemental.org) Distributed memory dense linear algebra “Balance ease of use and high performance” FLAME (z.cs.utexas.edu/wiki/flame.wiki/FrontPage) Formal Linear Algebra Method Environment Attempt to automate code generation across multiple platforms BLAST Forum ( Attempt to extend BLAS, add new functions, extra-precision, … PLASMA – uses DAG scheduling for multicore DPLASMA – same idea for distributed + multicore MAGMA – multicore + GPU –divide work between units BLAST Forum Attempt to extend BLAS to other languages, add some new functions, sparse matrices, extra-precision, interval arithmetic Only partly successful (extra-precise BLAS used in latest LAPACK) CS267 Lecture 2 02/26/2013 CS267 Lecture 11

15 Back to basics: Why avoiding communication is important (1/3)
Algorithms have two costs: Arithmetic (FLOPS) Communication: moving data between levels of a memory hierarchy (sequential case) processors over a network (parallel case). CPU Cache DRAM CPU DRAM 02/27/2014 CS267 Lecture 12

16 Why avoiding communication is important (2/3)
Running time of an algorithm is sum of 3 terms: # flops * time_per_flop # words moved / bandwidth # messages * latency communication Time_per_flop << 1/ bandwidth << latency Gaps growing exponentially with time Annual improvements Time_per_flop Bandwidth Latency Network 26% 15% DRAM 23% 5% 59% Minimize communication to save time CS267 Lecture 12 02/27/2014 Goal : organize linear algebra to avoid communication Between all memory hierarchy levels L L DRAM network, etc Not just hiding communication (overlap with arith) (speedup  2x ) Arbitrary speedups possible

17 Why Minimize Communication? (3/3)
Source: John Shalf, LBL

18 Why Minimize Communication? (3/3)
Minimize communication to save energy Source: John Shalf, LBL

19 Goal: Organize Linear Algebra to Avoid Communication
Between all memory hierarchy levels L L DRAM network, etc Not just hiding communication (overlap with arithmetic) Speedup  2x Arbitrary speedups/energy savings possible Later: Same goal for other computational patterns Lots of open problems CS267 Lecture 12 02/27/2014

20 Review: Blocked Matrix Multiply
Blocked Matmul C = A·B breaks A, B and C into blocks with dimensions that depend on cache size … Break Anxn, Bnxn, Cnxn into bxb blocks labeled A(i,j), etc … b chosen so 3 bxb blocks fit in cache for i = 1 to n/b, for j=1 to n/b, for k=1 to n/b C(i,j) = C(i,j) + A(i,k)·B(k,j) … b x b matmul, 4b2 reads/writes When b=1, get “naïve” algorithm, want b larger … (n/b)3 · 4b2 = 4n3/b reads/writes altogether Minimized when 3b2 = cache size = M, yielding O(n3/M1/2) reads/writes What if we had more levels of memory? (L1, L2, cache etc)? Would need 3 more nested loops per level Recursive (cache-oblivious algorithm) also possible 02/27/2014 CS267 Lecture 12

21 Communication Lower Bounds: Prior Work on Matmul
Assume n3 algorithm (i.e. not Strassen-like) Sequential case, with fast memory of size M Lower bound on #words moved to/from slow memory =  (n3 / M1/2 ) [Hong, Kung, 81] Attained using blocked or cache-oblivious algorithms Parallel case on P processors: Let M be memory per processor; assume load balanced Lower bound on #words moved =  (n3 /(p · M1/2 )) [Irony, Tiskin, Toledo, 04] If M = 3n2/p (one copy of each matrix), then lower bound =  (n2 /p1/2 ) Attained by SUMMA, Cannon’s algorithm 02/27/2014 CS267 Lecture 12 CS267 Lecture 2 NNZ (name of alg) Lower bound on #words Attained by 3n (“2D alg”)  (n2 / P1/2 ) [Cannon, 69] 3n2 P1/3 (“3D alg”)  (n2 / P2/3 ) [Johnson,93]

22 New lower bound for all “direct” linear algebra
Let M = “fast” memory size per processor = cache size (sequential case) or O(n2/p) (parallel case) #flops = number of flops done per processor #words_moved per processor = (#flops / M1/2 ) #messages_sent per processor =  (#flops / M3/2 ) Holds for Matmul, BLAS, LU, QR, eig, SVD, tensor contractions, … Some whole programs (sequences of these operations, no matter how they are interleaved, eg computing Ak) Dense and sparse matrices (where #flops << n3 ) Sequential and parallel algorithms Some graph-theoretic algorithms (eg Floyd-Warshall) Proof later, if time 02/27/2014 CS267 Lecture 12

23 New lower bound for all “direct” linear algebra
Let M = “fast” memory size per processor = cache size (sequential case) or O(n2/p) (parallel case) #flops = number of flops done per processor #words_moved per processor = (#flops / M1/2 ) #messages_sent per processor =  (#flops / M3/2 ) Sequential case, dense n x n matrices, so O(n3) flops #words_moved = (n3/ M1/2 ) #messages_sent = (n3/ M3/2 ) Parallel case, dense n x n matrices Load balanced, so O(n3/p) flops processor One copy of data, load balanced, so M = O(n2/p) per processor #words_moved = (n2/ p1/2 ) #messages_sent = ( p1/2 ) SIAM Linear Algebra Prize, 2012 02/27/2014 CS267 Lecture 12

24 Can we attain these lower bounds?
Do conventional dense algorithms as implemented in LAPACK and ScaLAPACK attain these bounds? Mostly not yet, work in progress If not, are there other algorithms that do? Yes Goals for algorithms: Minimize #words_moved Minimize #messages_sent Need new data structures Minimize for multiple memory hierarchy levels Cache-oblivious algorithms would be simplest Fewest flops when matrix fits in fastest memory Cache-oblivious algorithms don’t always attain this Attainable for nearly all dense linear algebra Just a few prototype implementations so far (class projects!) Only a few sparse algorithms so far (eg Cholesky) 02/27/2014 CS267 Lecture 12

25 Outline History and motivation Why minimize communication?
Lower bound on communication Structure of the Dense Linear Algebra motif What does A\b do? Parallel Matrix-matrix multiplication Attaining the lower bound Proof of the lower bound (if time) Parallel Gaussian Elimination (next lecture) 02/27/2014 CS267 Lecture 12

26 What could go into the linear algebra motif(s)?
For all linear algebra problems For all matrix/problem structures For all data types For all linear algebra problems: Ax=b, least squares, eigenproblems, … For all matrix structures: real symmetric banded…. For all data types: Single real, GMP complex, For all architectures and networks: multicore chips, widening gaps between network, flops, overlap in network For all programming interfaces (languages, libraries, PSIs) For all architectures and networks For all programming interfaces Produce best algorithm(s) w.r.t. performance and/or accuracy (including error bounds, etc) Need to prioritize, automate! 02/27/2014 CS267 Lecture 12

27 For all linear algebra problems: Ex: LAPACK Table of Contents
Linear Systems Least Squares Overdetermined, underdetermined Unconstrained, constrained, weighted Eigenvalues and vectors of Symmetric Matrices Standard (Ax = λx), Generalized (Ax=λBx) Eigenvalues and vectors of Unsymmetric matrices Eigenvalues, Schur form, eigenvectors, invariant subspaces Standard, Generalized Singular Values and vectors (SVD) Level of detail Simple Driver Expert Drivers with error bounds, extra-precision, other options Lower level routines (“apply certain kind of orthogonal transformation”) 02/27/2014 CS267 Lecture 12

28 What does A\b do? What could it do? Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general , pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed 02/27/2014 CS267 Lecture 12

29 What does A\b do? What could it do? Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general , pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed 02/27/2014 CS267 Lecture 12

30 What does A\b do? What could it do? Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed 02/27/2014 CS267 Lecture 12

31 What does A\b do? What could it do? Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed 02/27/2014 CS267 Lecture 12

32 What does A\b do? What could it do? Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed 02/27/2014 CS267 Lecture 12

33 Organizing Linear Algebra – in books
gams.nist.gov

34 Outline History and motivation Why minimize communication?
Lower bound on communication Structure of the Dense Linear Algebra motif What does A\b do? Parallel Matrix-matrix multiplication Attaining the lower bound Proof of the lower bound (if time) Parallel Gaussian Elimination (next lecture) 02/27/2014 CS267 Lecture 12

35 Different Parallel Data Layouts for Matrices (not all!)
1 2 3 1 2 3 1) 1D Column Blocked Layout 2) 1D Column Cyclic Layout 1 2 3 4) Row versions of the previous layouts Will see that 1D column blocked will make it impossible to reach lower bound. But another problem with it is Gaussian elimination. b 3) 1D Column Block Cyclic Layout 1 2 3 1 2 3 Generalizes others 6) 2D Row and Column Block Cyclic Layout 5) 2D Row and Column Blocked Layout 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

36 Parallel Matrix-Vector Product
Compute y = y + A*x, where A is a dense matrix Layout: 1D row blocked A(i) refers to the n/p by n block row that processor i owns, x(i) and y(i) similarly refer to segments of x,y owned by i Algorithm: Foreach processor i Broadcast x(i) Compute y(i) = A(i)*x Algorithm uses the formula y(i) = y(i) + A(i)*x = y(i) + Sj A(i,j)*x(j) P0 P1 P2 P3 x A(0) P0 P1 P2 P3 y Only communication required: broadcasting x A(1) A(2) A(3) 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

37 Matrix-Vector Product y = y + A*x
A column layout of the matrix eliminates the broadcast of x But adds a reduction to update the destination y A 2D blocked layout uses a broadcast and reduction, both on a subset of processors sqrt(p) for square processor grid P0 P1 P2 P3 Some communication required: some mix of broadcasting x, reducing y P P1 P2 P3 P P5 P6 P7 P8 P9 P10 P11 P12 P13 P14 P15 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

38 Parallel Matrix Multiply
Computing C=C+A*B Using basic algorithm: 2*n3 Flops Variables are: Data layout: 1D? 2D? Other? Topology of machine: Ring? Torus? Scheduling communication Use of performance models for algorithm design Message Time = “latency” + #words * time-per-word = a + n*b Efficiency (in any model): serial time / (p * parallel time) perfect (linear) speedup  efficiency = 1 Performance model: Recall Lecture 7 on Distributed memory machines, “Performance Models” section 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

39 Matrix Multiply with 1D Column Layout
Assume matrices are n x n and n is divisible by p A(i) refers to the n by n/p block column that processor i owns (similiarly for B(i) and C(i)) B(i,j) is the n/p by n/p sublock of B(i) in rows j*n/p through (j+1)*n/p - 1 Algorithm uses the formula C(i) = C(i) + A*B(i) = C(i) + Sj A(j)*B(j,i) May be a reasonable assumption for analysis, not for code p0 p1 p2 p3 p5 p4 p6 p7 02/27/2014 CS267 Lecture 12

40 Matrix Multiply: 1D Layout on Bus or Ring
Algorithm uses the formula C(i) = C(i) + A*B(i) = C(i) + Sj A(j)*B(j,i) First consider a bus-connected machine without broadcast: only one pair of processors can communicate at a time (ethernet) Second consider a machine with processors on a ring: all processors may communicate with nearest neighbors simultaneously 02/27/2014 CS267 Lecture 12

41 MatMul: 1D layout on Bus without Broadcast
Naïve algorithm: C(myproc) = C(myproc) + A(myproc)*B(myproc,myproc) for i = 0 to p-1 for j = 0 to p-1 except i if (myproc == i) send A(i) to processor j if (myproc == j) receive A(i) from processor i C(myproc) = C(myproc) + A(i)*B(i,myproc) barrier Cost of inner loop: computation: 2*n*(n/p)2 = 2*n3/p2 communication: a + b*n2 /p 02/27/2014 CS267 Lecture 12

42 Naïve MatMul (continued)
Cost of inner loop: computation: 2*n*(n/p)2 = 2*n3/p2 communication: a + b*n2 /p … approximately Only 1 pair of processors (i and j) are active on any iteration, and of those, only i is doing computation => the algorithm is almost entirely serial Running time: = (p*(p-1) + 1)*computation + p*(p-1)*communication  2*n3 + p2*a + p*n2*b This is worse than the serial time and grows with p. 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

43 Matmul for 1D layout on a Processor Ring
Pairs of adjacent processors can communicate simultaneously Copy A(myproc) into Tmp C(myproc) = C(myproc) + Tmp*B(myproc , myproc) for j = 1 to p-1 Send Tmp to processor myproc+1 mod p Receive Tmp from processor myproc-1 mod p C(myproc) = C(myproc) + Tmp*B( myproc-j mod p , myproc) Inner loop cost nearly same as before, 2x communication cost Same idea as for gravity in simple sharks and fish algorithm May want double buffering in practice for overlap Ignoring deadlock details in code Time of inner loop = 2*(a + b*n2/p) + 2*n*(n/p)2 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

44 Matmul for 1D layout on a Processor Ring
Time of inner loop = 2*(a + b*n2/p) + 2*n*(n/p)2 Total Time = 2*n* (n/p)2 + (p-1) * Time of inner loop  2*n3/p + 2*p*a + 2*b*n2 (Nearly) Optimal for 1D layout on Ring or Bus, even with Broadcast: Perfect speedup for arithmetic A(myproc) must move to each other processor, costs at least (p-1)*cost of sending n*(n/p) words Parallel Efficiency = 2*n3 / (p * Total Time) = 1/(1 + a * p2/(2*n3) + b * p/(2*n) ) = 1/ (1 + O(p/n)) Grows to 1 as n/p increases (or a and b shrink) But far from communication lower bound 02/27/2014 CS267 Lecture 12

45 Need to try 2D Matrix layout
1 2 3 1 2 3 1) 1D Column Blocked Layout 2) 1D Column Cyclic Layout 1 2 3 4) Row versions of the previous layouts b 3) 1D Column Block Cyclic Layout 1 2 3 1 2 3 Generalizes others 6) 2D Row and Column Block Cyclic Layout 5) 2D Row and Column Blocked Layout 02/27/2014 CS267 Lecture 12

46 Summary of Parallel Matrix Multiply
Scalable Universal Matrix Multiply Algorithm Attains communication lower bounds (within log p) Cannon Historically first, attains lower bounds More assumptions A and B square P a perfect square 2.5D SUMMA Uses more memory to communicate even less Parallel Strassen Attains different, even lower bounds 02/27/2014 CS267 Lecture 12

47 SUMMA Algorithm SUMMA = Scalable Universal Matrix Multiply
Presentation from van de Geijn and Watts Similar ideas appeared many times Used in practice in PBLAS = Parallel BLAS 02/27/2014 CS267 Lecture 12

48 SUMMA uses Outer Product form of MatMul
C = A*B means C(i,j) = Sk A(i,k)*B(k,j) Column-wise outer product: C = A*B = Sk A(:,k)*B(k,:) = Sk (k-th col of A)*(k-th row of B) Block column-wise outer product (block size = 4 for illustration) = A(:,1:4)*B(1:4,:) + A(:,5:8)*B(5:8,:) + … = Sk (k-th block of 4 cols of A)* (k-th block of 4 rows of B) 02/27/2014 CS267 Lecture 12

49 SUMMA – n x n matmul on P1/2 x P1/2 grid
* = i j A[i,k] k B[k,j] C[i,j] C[i, j] is n/P1/2 x n/P1/2 submatrix of C on processor Pij A[i,k] is n/P1/2 x b submatrix of A B[k,j] is b x n/P1/2 submatrix of B C[i,j] = C[i,j] + Sk A[i,k]*B[k,j] summation over submatrices Need not be square processor grid 02/27/2014 CS267 Lecture 12

50 SUMMA– n x n matmul on P1/2 x P1/2 grid
* = i j A[i,k] k B[k,j] C(i,j) Brow Acol For k=0 to n … or n/b-1 where b is the block size … = # cols in A(i,k) and # rows in B(k,j) for all i = 1 to pr … in parallel owner of A(i,k) broadcasts it to whole processor row for all j = 1 to pc … in parallel owner of B(k,j) broadcasts it to whole processor column Receive A(i,k) into Acol Receive B(k,j) into Brow C_myproc = C_myproc + Acol * Brow For k=0 to n/b-1 for all i = 1 to P1/2 owner of A[i,k] broadcasts it to whole processor row (using binary tree) for all j = 1 to P1/2 owner of B[k,j] broadcasts it to whole processor column (using bin. tree) Receive A[i,k] into Acol Receive B[k,j] into Brow C_myproc = C_myproc + Acol * Brow 02/27/2014 CS267 Lecture 12

51 SUMMA Costs Total #words = log P * n2 /P1/2
For k=0 to n/b-1 for all i = 1 to P1/2 owner of A[i,k] broadcasts it to whole processor row (using binary tree) … #words = log P1/2 *b*n/P1/2 , #messages = log P1/2 for all j = 1 to P1/2 owner of B[k,j] broadcasts it to whole processor column (using bin. tree) … same #words and #messages Receive A[i,k] into Acol Receive B[k,j] into Brow C_myproc = C_myproc + Acol * Brow … #flops = 2n2*b/P Why not always choose b near max n/p^(1/2)? Need b x n/p^(1/2) buffers for Acol, Brow so b near max adds extra n^2/p memory/processor Total #words = log P * n2 /P1/2 Within factor of log P of lower bound (more complicated implementation removes log P factor) Total #messages = log P * n/b Choose b close to maximum, n/P1/2, to approach lower bound P1/2 Total #flops = 2n3/P CS267 Lecture 2

52 PDGEMM = PBLAS routine for matrix multiply Observations: For fixed N, as P increases Mflops increases, but less than 100% efficiency For fixed P, as N increases, Mflops (efficiency) rises DGEMM = BLAS routine for matrix multiply Maximum speed for PDGEMM = # Procs * speed of DGEMM Observations (same as above): Efficiency always at least 48% For fixed N, as P increases, efficiency drops For fixed P, as N increases, efficiency increases 02/27/2014 CS267 Lecture 8

53 Can we do better? Lower bound assumed 1 copy of data: M = O(n2/P) per proc. What if matrix small enough to fit c>1 copies, so M = cn2/P ? #words_moved = Ω( #flops / M1/2 ) = Ω( n2 / ( c1/2 P1/2 )) #messages = Ω( #flops / M3/2 ) = Ω( P1/2 /c3/2) Can we attain new lower bound? Special case: “3D Matmul”: c = P1/3 Bernsten 89, Agarwal, Chandra, Snir 90, Aggarwal 95 Processors arranged in P1/3 x P1/3 x P1/3 grid Processor (i,j,k) performs C(i,j) = C(i,j) + A(i,k)*B(k,j), where each submatrix is n/P1/3 x n/P1/3 Not always that much memory available… 02/27/2014 CS267 Lecture 12

54 2.5D Matrix Multiplication
Assume can fit cn2/P data per processor, c > 1 Processors form (P/c)1/2 x (P/c)1/2 x c grid c (P/c)1/2 Example: P = 32, c = 2 02/27/2014 CS267 Lecture 12

55 2.5D Matrix Multiplication
Assume can fit cn2/P data per processor, c > 1 Processors form (P/c)1/2 x (P/c)1/2 x c grid k j i Initially P(i,j,0) owns A(i,j) and B(i,j) each of size n(c/P)1/2 x n(c/P)1/2 (1) P(i,j,0) broadcasts A(i,j) and B(i,j) to P(i,j,k) (2) Processors at level k perform 1/c-th of SUMMA, i.e. 1/c-th of Σm A(i,m)*B(m,j) (3) Sum-reduce partial sums Σm A(i,m)*B(m,j) along k-axis so P(i,j,0) owns C(i,j)

56 2.5D Matmul on IBM BG/P, n=64K As P increases, available memory grows  c increases proportionally to P #flops, #words_moved, #messages per proc all decrease proportionally to P #words_moved = Ω( #flops / M1/2 ) = Ω( n2 / ( c1/2 P1/2 )) #messages = Ω( #flops / M3/2 ) = Ω( P1/2 /c3/2) Perfect strong scaling! But only up to c = P1/3

57 2.5D Matmul on IBM BG/P, 16K nodes / 64K cores
02/27/2014 CS267 Lecture 12

58 2.5D Matmul on IBM BG/P, 16K nodes / 64K cores
c = 16 copies SC’11 paper about need to fully utilize 3D torus network on BG/P to get this to work Distinguished Paper Award, EuroPar’11 SC’11 paper by Solomonik, Bhatele, D. 02/27/2014

59 Perfect Strong Scaling – in Time and Energy
Every time you add a processor, you should use its memory M too Start with minimal number of procs: PM = 3n2 Increase P by a factor of c  total memory increases by a factor of c Notation for timing model: γT , βT , αT = secs per flop, per word_moved, per message of size m T(cP) = n3/(cP) [ γT+ βT/M1/2 + αT/(mM1/2) ] = T(P)/c Notation for energy model: γE , βE , αE = joules for same operations δE = joules per word of memory used per sec εE = joules per sec for leakage, etc. E(cP) = cP { n3/(cP) [ γE+ βE/M1/2 + αE/(mM1/2) ] + δEMT(cP) + εET(cP) } = E(P) c cannot increase forever: c <= P1/3 (3D algorithm) Corresponds to lower bound on #messages hitting 1 Perfect scaling extends to Strassen’s matmul, direct N-body, … “Perfect Strong Scaling Using No Additional Energy” “Strong Scaling of Matmul and Memory-Indep. Comm. Lower Bounds” Both at bebop.cs.berkeley.edu Can use these formulas to ask: How to choose p and M to minimize energy needed for computation? Given max allowed runtime T, how much energy do I need to achieve it? Given max allowed energy E, what is the minimum runtime T I can attain? Given target energy efficiency (Gflops/W), what architectural parameters are needed to achieve it?

60 Parallel Strassen Complexity of classical Matmul vs Strassen
Flops: O(n3/p) vs O(nw/p) where w = log2 7 ~ 2.81 Communication lower bound on #words: Ω((n3/p)/M1/2) = Ω(M(n/M1/2)3/p) vs Ω(M(n/M1/2)w/p) Communication lower bound on #messages: Ω((n3/p)/M3/2) = Ω((n/M1/2)3/p) vs Ω((n/M1/2)w/p) All attainable as M increases, up to a limit can increase M by factor up to p1/3 vs p1-2/w #words as low as Ω(n/p2/3) vs Ω(n/p2/w) Best Paper Prize, SPAA’11, Ballard, D., Holtz, Schwartz How well does parallel Strassen work in practice? Just appeared (Feb 2014) as Research Highligth in CACM 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

61 Strong scaling of Matmul on Hopper (n=94080)
G. Ballard, D., O. Holtz, B. Lipshitz, O. Schwartz “Communication-Avoiding Parallel Strassen” bebop.cs.berkeley.edu, Supercomputing’12 02/27/2014 CS267 Lecture 11

62 ScaLAPACK Parallel Library
02/27/2014 CS267 Lecture 12

63 Extensions of Lower Bound and Optimal Algorithms
For each processor that does G flops with fast memory of size M #words_moved = Ω(G/M1/2) Extension: for any program that “smells like” Nested loops … That access arrays … Where array subscripts are linear functions of loop indices Ex: A(i,j), B(3*i-4*k+5*j, i-j, 2*k, …), … There is a constant s such that #words_moved = Ω(G/Ms-1) s comes from recent generalization of Loomis-Whitney (s=3/2) Ex: linear algebra, n-body, database join, … Lots of open questions: deriving s, optimal algorithms … 02/27/2014 CS267 Lecture 12

64 Extra Slides 02/27/2014 CS267 Lecture 12

65 Proof of Communication Lower Bound on C = A·B (1/5)
Proof from Irony/Toledo/Tiskin (2004) Think of instruction stream being executed Looks like “ … add, load, multiply, store, load, add, …” Each load/store moves a word between fast and slow memory We want to count the number of loads and stores, given that we are multiplying n-by-n matrices C = A·B using the usual 2n3 flops, possibly reordered assuming addition is commutative/associative Assuming that at most M words can be stored in fast memory Outline: Break instruction stream into segments, each with M loads and stores Somehow bound the maximum number of flops that can be done in each segment, call it F So F · # segments  T = total flops = 2·n3 , so # segments  T / F So # loads & stores = M · #segments  M · T / F Ignore fact that T/F may not be an integer, fix later (change # segments to # complete_segments, T/F to floor(T/F), Then #complete_segments >= floor(T/F), otherwise, if #complete_segments <= floor(T/F) – 1 < T/F - 1, then #flops < F*((T/F)-1) + F = T, oops 02/27/2014 CS267 Lecture 12 CS267 Lecture 2

66 Proof of Communication Lower Bound on C = A·B (2/5)
k “C face” Cube representing C(1,1) += A(1,3)·B(3,1) i j A(2,1) A(1,3) B(1,3) B(3,1) C(1,1) C(2,3) A(1,1) B(1,1) A(1,2) B(2,1) “B face” If we have at most 2M “A squares”, 2M “B squares”, and 2M “C squares” on faces, how many cubes can we have? “A face”

67 Proof of Communication Lower Bound on C = A·B (3/5)
Given segment of instruction stream with M loads & stores, how many adds & multiplies (F) can we do? At most 2M entries of C, 2M entries of A and/or 2M entries of B can be accessed Use geometry: Represent n3 multiplications by n x n x n cube One n x n face represents A each 1 x 1 subsquare represents one A(i,k) One n x n face represents B each 1 x 1 subsquare represents one B(k,j) One n x n face represents C each 1 x 1 subsquare represents one C(i,j) Each 1 x 1 x 1 subcube represents one C(i,j) += A(i,k) · B(k,j) May be added directly to C(i,j), or to temporary accumulator

68 Proof of Communication Lower Bound on C = A·B (4/5)
k A shadow B shadow C shadow j i x y z y z x (i,k) is in A shadow if (i,j,k) in 3D set (j,k) is in B shadow if (i,j,k) in 3D set (i,j) is in C shadow if (i,j,k) in 3D set Thm (Loomis & Whitney, 1949) # cubes in 3D set = Volume of 3D set ≤ (area(A shadow) · area(B shadow) · area(C shadow)) 1/2 # cubes in black box with side lengths x, y and z = Volume of black box = x·y·z = ( xz · zy · yx)1/2 = (#A□s · #B□s · #C□s )1/2

69 Proof of Communication Lower Bound on C = A·B (5/5)
Consider one “segment” of instructions with M loads, stores Can be at most 2M entries of A, B, C available in one segment Volume of set of cubes representing possible multiply/adds in one segment is ≤ (2M · 2M · 2M)1/2 = (2M) 3/2 ≡ F # Segments  2n3 / F # Loads & Stores = M · #Segments  M · 2n3 / F  n3 / (2M)1/2 – M = (n3 / M1/2 ) Parallel Case: apply reasoning to one processor out of P # Adds and Muls  2n3 / P (at least one proc does this ) M= n2 / P (each processor gets equal fraction of matrix) # “Load & Stores” = # words moved from or to other procs  M · (2n3 /P) / F= M · (2n3 /P) / (2M)3/2 = n2 / (2P)1/2

70 Recursive Layouts For both cache hierarchies and parallelism, recursive layouts may be useful Z-Morton, U-Morton, and X-Morton Layout Also Hilbert layout and others What about the user’s view? Fortunately, many problems can be solved on a permutation Never need to actually change the user’s layout 2/27/08 CS267 Guest Lecture 1

71 Gaussian Elimination LINPACK Standard Way a3=a3-a1*a2 a3 a2 a1
x . . . LINPACK apply sequence to a column x x . x x Standard Way subtract a multiple of a row x nb then apply nb to rest of matrix a3=a3-a1*a2 a3 a2 a1 L a2 =L-1 a2 x . . . nb LAPACK apply sequence to nb 02/09/2006 CS267 Lecture 8 Slide source: Dongarra

72 Gaussian Elimination via a Recursive Algorithm
F. Gustavson and S. Toledo LU Algorithm: 1: Split matrix into two rectangles (m x n/2) if only 1 column, scale by reciprocal of pivot & return 2: Apply LU Algorithm to the left part 3: Apply transformations to right part (triangular solve A12 = L-1A12 and matrix multiplication A22=A22 -A21*A12 ) 4: Apply LU Algorithm to right part L A12 A21 A22 Most of the work in the matrix multiply Matrices of size n/2, n/4, n/8, … 02/09/2006 CS267 Lecture 8 Slide source: Dongarra

73 Recursive Factorizations
Just as accurate as conventional method Same number of operations Automatic variable blocking Level 1 and 3 BLAS only ! Extreme clarity and simplicity of expression Highly efficient The recursive formulation is just a rearrangement of the point-wise LINPACK algorithm The standard error analysis applies (assuming the matrix operations are computed the “conventional” way). 02/09/2006 CS267 Lecture 8 Slide source: Dongarra

74 Dual-processor LAPACK Recursive LU LAPACK Uniprocessor Recursive LU
02/09/2006 CS267 Lecture 8 Slide source: Dongarra

75 Review: BLAS 3 (Blocked) GEPP
for ib = 1 to n-1 step b … Process matrix b columns at a time end = ib + b … Point to end of block of b columns apply BLAS2 version of GEPP to get A(ib:n , ib:end) = P’ * L’ * U’ … let LL denote the strict lower triangular part of A(ib:end , ib:end) + I A(ib:end , end+1:n) = LL-1 * A(ib:end , end+1:n) … update next b rows of U A(end+1:n , end+1:n ) = A(end+1:n , end+1:n ) - A(end+1:n , ib:end) * A(ib:end , end+1:n) … apply delayed updates with single matrix-multiply … with inner dimension b BLAS 3 02/09/2006 CS267 Lecture 8

76 Review: Row and Column Block Cyclic Layout
processors and matrix blocks are distributed in a 2d array pcol-fold parallelism in any column, and calls to the BLAS2 and BLAS3 on matrices of size brow-by-bcol serial bottleneck is eased need not be symmetric in rows and columns 02/09/2006 CS267 Lecture 8 CS267 Lecture 2

77 Distributed GE with a 2D Block Cyclic Layout
block size b in the algorithm and the block sizes brow and bcol in the layout satisfy b=brow=bcol. shaded regions indicate busy processors or communication performed. unnecessary to have a barrier between each step of the algorithm, e.g.. step 9, 10, and 11 can be pipelined 02/09/2006 CS267 Lecture 8 CS267 Lecture 2

78 Distributed GE with a 2D Block Cyclic Layout
02/09/2006 CS267 Lecture 8 CS267 Lecture 2

79 02/09/2006 CS267 Lecture 8 green = green - blue * pink
Matrix multiply of 02/09/2006 CS267 Lecture 8 CS267 Lecture 2

80 02/09/2006 CS267 Lecture 8 PDGESV = ScaLAPACK parallel LU routine
Since it can run no faster than its inner loop (PDGEMM), we measure: Efficiency = Speed(PDGESV)/Speed(PDGEMM) Observations: Efficiency well above 50% for large enough problems For fixed N, as P increases, efficiency decreases (just as for PDGEMM) For fixed P, as N increases efficiency increases From bottom table, cost of solving Ax=b about half of matrix multiply for large enough matrices. From the flop counts we would expect it to be (2*n3)/(2/3*n3) = 3 times faster, but communication makes it a little slower. 02/09/2006 CS267 Lecture 8

81 02/09/2006 CS267 Lecture 8

82 nearly full machine speed
Scales well, nearly full machine speed 02/09/2006 CS267 Lecture 8

83 Old Algorithm, plan to abandon Old version, pre 1998 Gordon Bell Prize
Still have ideas to accelerate Project Available! Old Algorithm, plan to abandon 02/09/2006 CS267 Lecture 8

84 Have good ideas to speedup Project available!
Hardest of all to parallelize Have alternative, and would like to compare Project available! 02/09/2006 CS267 Lecture 8

85 Moral: use QR to solve Ax=b Projects available (perhaps very hard…)
Out-of-core means matrix lives on disk; too big for main mem Much harder to hide latency of disk QR much easier than LU because no pivoting needed for QR Moral: use QR to solve Ax=b Projects available (perhaps very hard…) 02/09/2006 CS267 Lecture 8

86 A small software project ...
02/09/2006 CS267 Lecture 8

87 Work-Depth Model of Parallelism
The work depth model: The simplest model is used For algorithm design, independent of a machine The work, W, is the total number of operations The depth, D, is the longest chain of dependencies The parallelism, P, is defined as W/D Specific examples include: circuit model, each input defines a graph with ops at nodes vector model, each step is an operation on a vector of elements language model, where set of operations defined by language 02/09/2006 CS267 Lecture 8

88 Latency Bandwidth Model
Network of fixed number P of processors fully connected each with local memory Latency (a) accounts for varying performance with number of messages gap (g) in logP model may be more accurate cost if messages are pipelined Inverse bandwidth (b) accounts for performance varying with volume of data Efficiency (in any model): serial time / (p * parallel time) perfect (linear) speedup  efficiency = 1 02/09/2006 CS267 Lecture 8

89 Initial Step to Skew Matrices in Cannon
Initial blocked input After skewing before initial block multiplies A(0,0) A(0,1) A(0,2) B(0,0) B(0,1) B(0,2) A(1,0) A(1,1) A(1,2) B(1,0) B(1,1) B(1,2) A(2,0) A(2,1) A(2,2) B(2,0) B(2,1) B(2,2) A(0,0) A(0,1) A(0,2) B(0,0) B(1,1) B(2,2) A(1,1) A(1,2) A(1,0) B(1,0) B(2,1) B(0,2) A(2,2) A(2,0) A(2,1) B(2,0) B(0,1) B(1,2) 02/09/2006 CS267 Lecture 8

90 Skewing Steps in Cannon
B(0,0) B(1,1) B(2,2) First step Second Third A(1,1) A(1,2) A(1,0) B(1,0) B(2,1) B(0,2) A(2,2) A(2,0) A(2,1) B(2,0) B(0,1) B(1,2) A(0,1) A(0,2) A(0,0) B(1,0) B(2,1) B(0,2) A(1,2) A(1,0) A(1,1) B(2,0) B(0,1) B(1,2) A(2,0) A(2,1) A(2,2) B(0,0) B(1,1) B(2,2) A(0,2) A(0,0) A(0,1) B(2,0) B(0,1) B(1,2) A(1,0) A(1,1) A(1,2) B(0,0) B(1,1) B(2,2) A(2,1) A(2,2) A(2,0) B(1,0) B(2,1) B(0,2) 02/09/2006 CS267 Lecture 8

91 3 Basic Linear Algebra Problems
Motivation (1) 3 Basic Linear Algebra Problems Linear Equations: Solve Ax=b for x Least Squares: Find x that minimizes ||r||2  S ri2 where r=Ax-b Statistics: Fitting data with simple functions 3a. Eigenvalues: Find l and x where Ax = l x Vibration analysis, e.g., earthquakes, circuits 3b. Singular Value Decomposition: ATAx=2x Data fitting, Information retrieval Lots of variations depending on structure of A A symmetric, positive definite, banded, … 2/25/2009 CS267 Lecture 8

92 Why dense A, as opposed to sparse A?
Motivation (2) Why dense A, as opposed to sparse A? Many large matrices are sparse, but … Dense algorithms easier to understand Some applications yields large dense matrices LINPACK Benchmark ( “How fast is your computer?” = “How fast can you solve dense Ax=b?” Large sparse matrix algorithms often yield smaller (but still large) dense problems Do ParLab Apps most use small dense matrices? 2/25/2009 CS267 Lecture 8

93 Algorithms for 2D (3D) Poisson Equation (N = n2 (n3) vars)
Algorithm Serial PRAM Memory #Procs Dense LU N3 N N2 N2 Band LU N2 (N7/3) N N3/2 (N5/3) N (N4/3) Jacobi N2 (N5/3) N (N2/3) N N Explicit Inv. N2 log N N2 N2 Conj.Gradients N3/2 (N4/3) N1/2(1/3) *log N N N Red/Black SOR N3/2 (N4/3) N1/2 (N1/3) N N Sparse LU N3/2 (N2) N1/2 N*log N (N4/3) N FFT N*log N log N N N Multigrid N log2 N N N Lower bound N log N N PRAM is an idealized parallel model with zero cost communication Reference: James Demmel, Applied Numerical Linear Algebra, SIAM, 1997 (Note: corrected complexities for 3D case from last lecture!). Fix table in earlier lecture for 3D case! Band LU serial complexity: dimension * bandwidth^2 = n^2 * n^2 in 2D and n^3 * (n^2)^2 in 3D Band LU storage: dimension * bandwidth Band LU #procs = bandwidth^2 Jacobi complexity = complexity(SpMV) * #its, #its = cond# = n^2 in 2D and 3D CG complexity = [ complexity(SpMV)+complexity(dotprod) ] * #its, #its = sqrt(cond#) = n in 2D and 3D RB SOR complexity = complexity(SpMV) * #its, #its = sqrt(cond#) = n in 2D and 3D 02/25/2009 CS267 Lecture 8

94 Lessons and Questions (1)
Structure of the problem matters Cost of solution can vary dramatically (n3 to n) Many other examples Some structure can be figured out automatically “A\b” can figure out symmetry, some sparsity Some structures known only to (smart) user If performance not critical, user may be happy to settle for A\b How much of this goes into the motifs? How much should we try to help user choose? Tuning, but at algorithmic choice level (SALSA) Motifs overlap Dense, sparse, (un)structured grids, spectral

95 Organizing Linear Algebra (1)
By Operations Low level (eg mat-mul: BLAS) Standard level (eg solve Ax=b, Ax=λx: Sca/LAPACK) Applications level (eg systems & control: SLICOT) By Performance/accuracy tradeoffs “Direct methods” with guarantees vs “iterative methods” that may work faster and accurately enough By Structure Storage Dense columnwise, rowwise, 2D block cyclic, recursive space-filling curves Banded, sparse (many flavors), black-box, … Mathematical Symmetries, positive definiteness, conditioning, … As diverse as the world being modeled

96 Organizing Linear Algebra (2)
By Data Type Real vs Complex Floating point (fixed or varying length), other By Target Platform Serial, manycore, GPU, distributed memory, out-of-DRAM, Grid, … By programming interface Language bindings “A\b” versus access to details

97 For all linear algebra problems: Ex: LAPACK Table of Contents
Linear Systems Least Squares Overdetermined, underdetermined Unconstrained, constrained, weighted Eigenvalues and vectors of Symmetric Matrices Standard (Ax = λx), Generallzed (Ax=λxB) Eigenvalues and vectors of Unsymmetric matrices Eigenvalues, Schur form, eigenvectors, invariant subspaces Standard, Generalized Singular Values and vectors (SVD) Level of detail Simple Driver Expert Drivers with error bounds, extra-precision, other options Lower level routines (“apply certain kind of orthogonal transformation”)

98 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general , pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

99 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general , pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

100 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

101 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

102 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

103 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general , pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

104 For all matrix/problem structures: Ex: LAPACK Table of Contents
BD – bidiagonal GB – general banded GE – general GG – general, pair GT – tridiagonal HB – Hermitian banded HE – Hermitian HG – upper Hessenberg, pair HP – Hermitian, packed HS – upper Hessenberg OR – (real) orthogonal OP – (real) orthogonal, packed PB – positive definite, banded PO – positive definite PP – positive definite, packed PT – positive definite, tridiagonal SB – symmetric, banded SP – symmetric, packed ST – symmetric, tridiagonal SY – symmetric TB – triangular, banded TG – triangular, pair TP – triangular, packed TR – triangular TZ – trapezoidal UN – unitary UP – unitary packed

105 For all data types: Ex: LAPACK Table of Contents
Real and complex Single and double precision Arbitrary precision in progress

106 Organizing Linear Algebra (3)
gams.nist.gov

107 Review of the BLAS Building blocks for all linear algebra
Parallel versions call serial versions on each processor So they must be fast! Define q = # flops / # mem refs = “computational intensity” The larger is q, the faster the algorithm can go in the presence of memory hierarchy “axpy”: y = a*x + y, where a scalar, x and y vectors BLAS level Ex. # mem refs # flops q 1 “Axpy”, Dot prod 3n 2n1 2/3 2 Matrix-vector mult n2 2n2 3 Matrix-matrix mult 4n2 2n3 n/2 2/27/08 CS267 Guest Lecture 1

108 Summary of Parallel Matrix Multiplication so far
1D Layout Bus without broadcast - slower than serial Nearest neighbor communication on a ring (or bus with broadcast): Efficiency = 1/(1 + O(p/n)) 2D Layout – one copy of all matrices (O(n2/p) per processor) Cannon Efficiency = 1/(1+O(a * ( sqrt(p) /n)3 +b* sqrt(p) /n)) – optimal! Hard to generalize for general p, n, block cyclic, alignment SUMMA Efficiency = 1/(1 + O(a * log p * p / (b*n2) + b*log p * sqrt(p) /n)) Very General b small => less memory, lower efficiency b large => more memory, high efficiency Used in practice (PBLAS) Why? Can we do better? 02/22/2011 CS267 Lecture 11


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