Tuning MATLAB for Better Performance Kadin Tseng Scientific Computing and Visualization, IS&T Boston University Fall 2010 1 Topics Covered 1. Performance Issues 1.1 Memory Allocations 1.2 Vector Representations 1.3 Compiler 1.4 Other Considerations 2. Multiprocessing MATLAB Fall 2010 2 1. Performance Issues 1.1 1.2 1.3 1.4 Fall 2010 Memory Access Vector Representations Compiler Other Considerations 3 1.1 Memory Access Memory access patterns often affect computational performance. Some effective ways to enhance performance in MATLAB : Allocate array memory before using it For-loops Ordering Compute and save array in-place where applicable. Fall 2010 4 MATLAB Memory Allocation Issues • MATLAB arrays are allocated in contiguous address space ( for efficiency, as dictated by Lapack). • Arrays allocated on-the-fly. Problematic in a large for-loop. • MATLAB is both pass-by-value and pass-byreference (“lazy copy”). Fall 2010 5 How Does MATLAB Allocate Arrays ? • MATLAB arrays are allocated in contiguous address space. Memory Array Address element Without pre-allocation for i=1:4 x(i) = i; end Fall 2010 1 x(1) … ... 2000 x(1) 2001 x(2) 2002 x(1) 2003 x(2) 2004 x(3) ... ... 10004 x(1) 10005 x(2) 10006 x(3) 10007 x(4) 6 How … Arrays ? Examples • MATLAB arrays are allocated in contiguous address space. n=5000; tic for i=1:n x(i) = i^2; end toc Wallclock time = 0.00046 seconds n=5000; x = zeros(n,1); tic for i=1:n x(i) = i^2; end toc Wallclock time = 0.00004 seconds The timing data are recorded on Katana. The actual times may vary depending on the processor. Fall 2010 7 Passing Arrays Into A Function MATLAB uses pass-by-reference if passed array is used as is; a copy will be made if the array is modified. MATLAB calls it “lazy copy.” function y = mycopy(A, x, b, change) If change, A(2,3) = 23; end % change forces a local copy of a y = A*x + b; % use x and b directly from calling program pause(2) % keep memory longer to see it On Windows, can use Task Manager to monitor memory allocation history. >> n = 5000; A = rand(n); x = rand(n,1); b = rand(n,1); >> y = mycopy(A, x, b, 0); >> y = mycopy(A, x, b, 1); Fall 2010 8 For-loop Ordering Best if inner-most loop is for array left-most index, etc. For a multi-dimensional array, x(i,j), the 1D representation of the same array, x(k), follows column-wise order and inherently possesses the contiguous property n=5000; x = zeros(n); for i=1:n % rows for j=1:n % columns x(i,j) = i+(j-1)*n; end end n=5000; x = zeros(n); for j=1:n % columns for i=1:n % rows x(i,j) = i+(j-1)*n; end end Wallclock time = 0.88 seconds Wallclock time = 0.48 seconds Fall 2010 for i=1:n*n x(i) = i; end x = 1:n*n; 9 Compute In-place Compute and save array in-place improves performance x = rand(5000); tic y = x.^2; toc x = rand(5000); tic x = x.^2; toc Wallclock time = 0.30 seconds Wallclock time = 0.11 seconds Caveat: May not be worthwhile if it involves data type or size change … Fall 2010 10 Other Considerations Generally, better to use function instead of script m-file Script m-file is loaded into memory and evaluate one line at a time. Subsequent uses require reloading. Function m-file is compiled into a pseudo-code and is loaded on first application. Subsequent uses of the function will be faster without reloading. Function is modular; self cleaning; reusable. Global variables are expensive; difficult to track. Physical memory is much faster than virtual mem. Avoid passing large matrices to a function and modifying only a handful of elements. (struc and cell are exceptions) Fall 2010 11 Other Considerations (cont’d) load and save are efficient to handle whole data file; textscan is more memory-efficient to extract text meeting specific criteria. Don’t reassign array that results in change of data type or shape. Limit m-files size and complexity. Computationally intensive jobs often require large memory … Structure of array more memory-efficient than array of structures. Fall 2010 12 Memory Management Maximize memory availability. 32-bit systems < 2 or 3 GB 64-bit systems running 32-bit MATLAB < 4GB 64-bit systems running 64-bit MATLAB < 8TB (16GB on some Katana nodes) Minimize memory usage. (Details to follow …) Fall 2010 13 Minimize Memory Usage Fall 2010 Use clear, pack or other memory saving means when possible. If double precision (default) is not required, use of ‘single’ data type could save substantial amount of memory. For example, >> x=ones(10,'single'); y=x+1; % y inherits single from x Use sparse to save memory >> n=5000; A = zeros(n); A(3,2) = 1; B = ones(n); >> C = A*B; >> As = sparse(A); >> Cs = As*B; % it can save time for low density >> A2 = sparse(n,n); A2(3,2) = 1; 14 Minimize Memory Usage (Cont’d) Use “matlab –nojvm …” saves lots of memory. Memory usage query For Unix: >> unix('ps aux | grep $USER | grep –m 1 MATLAB | … awk ''{print $5“k”}''') % only “k” double quoted Katana% top For Windows: >> m = feature('memstats'); % largest contiguous free block Use MS Windows Task Manager to monitor memory allocation. Distribute memory among multiprocessors via MATLAB Parallel Computing Toolbox. Fall 2010 15 Special Functions for Real Numbers MATLAB provides a few functions for processing real, noncomplex, data specifically. These functions are more efficient than their generic versions: realpow – power for real numbers realsqrt – square root for real numbers reallog – logarithm for real numbers realmin/realmax – min/max for real numbers n = 1000; x = 1:n; x = x.^2; tic x = sqrt(x); toc n = 1000; x = 1:n; x = x.^2; tic x = realsqrt(x); toc Wallclock time = 0.00022 seconds Wallclock time = 0.00004 seconds • isreal reports whether the array is real • single/double converts data to single-/double-precision Fall 2010 16 Vectorization MATLAB is designed for vector and matrix operations. The use of for loop, in general, can be expensive, especially if the loop count is large or nested. Without array pre-allocation, for-loops are very costly. From a performance standpoint, in general, vector representation should be used in place of forloops whenever reasonable. i = 0; for t = 0:.01:100 i = i + 1; y(i) = sin(t); end t = 0:.01:100; y = sin(t); Wallclock time = 0.1069 seconds Wallclock time = 0.0007 seconds Fall 2010 17 Vector Manipulations of Arrays >> A = magic(3) % define a 3x3 matrix A A= 8 1 6 3 5 7 4 9 2 >> B = A^2; % B = A * A; >> C = A + B; >> b = 1:3 % define b as a 1x3 row vector b= 1 2 3 >> [A, b'] % Add b transpose as a 4th column to A ans = 8 1 6 1 3 5 7 2 4 9 2 3 Fall 2010 18 Vector Manipulations of Arrays >> [A; b] % Add b as a 4th row to A ans = 8 1 6 3 5 7 4 9 2 1 2 3 >> A = zeros(3) % zeros generates 3*3 array of 0’s A= 0 0 0 0 0 0 0 0 0 >> B = 2*ones(2,3) % ones generates 2 * 3 array of 1’s B= 2 2 2 2 2 2 Alternatively, >> B = repmat(2,2,3) % matrix replication Fall 2010 19 Vector Manipulations of Arrays >> y = (1:5)’; >> n = 3; >> B = y(:, ones(1,n)) % B = y(:, [1 1 1]) or B=[y y y] B= 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 Again, B can be generated via repmat as >> B = repmat(y, 1, 3); Fall 2010 20 Vector Manipulations of Arrays >> A = magic(3) A= 8 1 6 3 5 7 4 9 2 >> B = A(:, [1 3 2]) % switch 2nd and third columns of A B= 8 6 1 3 7 5 4 2 9 >> A(:, 2) = [ ] % delete second column of A A= 8 6 3 7 4 2 Fall 2010 21 Vector Representation Example n = 3000; x = zeros(n); for j=1:n for i=1:n x(i,j) = i+(j-1)*n; x(i,j) = x(i,j)^2; end end n = 3000; i = (1:n) '; I = repmat(i,1,n); % replicate along j x = I + (I'-1)*n; x = x.^2; Wallclock time = 0.19 seconds Wallclock time = 0.49 seconds Notes on the vector form of the computations : • To eliminate the for-loops, all values of i and j must be made available at once. The ones or repmat utilities can be used to replicate rows or columns. In this special case, J = I' is used to save computations and memory. • Often, there are trade-offs between efficiency and memory using the vector form. Here, the creation of I adds to the memory and compute time. However, as more works can be leveraged against I, efficiency improves. • Added memory could push memory usage closer to the physical ram limit. Once virtual memory (swap space) is required, performance degrades. Fall 2010 22 Functions Useful in Vectorizing Fall 2010 Function Description all Test to see if all elements are of a prescribed value any Test to see if any element is of a prescribed value zeros Create array of zeroes ones Create array of ones repmat Replicate and tile an array find Find indices and values of nonzero elements diff Find differences and approximate derivatives squeeze Remove singleton dimensions from an array prod Find product of array elements sum Find the sum of array elements cumsum Find cumulative sum shiftdim Shift array dimensions logical Convert numeric values to logical sort Sort array elements in ascending /descending order 23 Laplace Equation Laplace Equation: u u 2 0 2 x y 2 2 (1) Boundary Conditions: u ( x,0) sin (x) 0 x1 u ( x,1) sin (x)e u (0, y) u (1, y) 0 x 0 x1 (2) 0 y1 Analytical solution: u( x, y) sin (x)e xy Fall 2010 0 x 1; 0 y 1 (3) 24 Discrete Laplace Equation Discretize Equation (1) by centered-difference yields: uin, 1 j uin1,j uin1,j ui,jn 1 ui,jn 1 4 i 1,2, ,m; j 1,2, ,m (4) where n and n+1 denote the current and the next time step, respectively, while ui,jn u n(xi ,y j ) i 0,1,2, ,m 1; j 0,1,2, ,m 1 (5) u n(ix, jy ) For simplicity, we take x y Fall 2010 1 m1 25 Computational Domain y, j u(x,1) sin(x)e x x, i u(1,y) 0 u(0,y) 0 u(x,0) sin(x) uin, j 1 Fall 2010 n n uin1,j uin1,j ui,j 1 ui,j 1 4 i 1,2, ,m; j 1,2, ,m 26 Five-point Finite-Difference Stencil Interior cells. x Where solution of the Laplace equation is sought. x o x x (i, j) Exterior cells. Green cells denote cells where homogeneous boundary conditions are imposed while non-homogeneous boundary conditions are colored in blue. Fall 2010 x x o x x 27 SOR Update Function How do you vectorize it ? 1. Remove the for loops 2. Define i = ib:2:ie; 3. Define j = jb:2:je; 4. Use sum for del % original code fragment jb = 2; je = n+1; ib = 3; ie = m+1; for i=ib:2:ie for j=jb:2:je up = ( u(i ,j+1) + u(i+1,j ) + ... u(i-1,j ) + u(i ,j-1) )*0.25; u(i,j) = (1.0 - omega)*u(i,j) +omega*up; del = del + abs(up-u(i,j)); end end % vector code fragment jb = 2; je = n+1; ib = 3; ie = m+1; i = ib:2:ie; j = jb:2:je; up = ( u(i ,j+1) + u(i+1,j ) + ... u(i-1,j ) + u(i ,j-1) )*0.25; u(i,j) = (1.0 - omega)*u(i,j) + omega*up; del = del + sum(sum(abs(up-u(i,j)))); Fall 2010 More efficient way ? 28 Solution Contour Plot Fall 2010 29 SOR Update Function (4) m Matrix size Fall 2010 Wallclock ssor2Dij Wallclock ssor2Dji Wallclock ssor2Dv for loops reverse loops vector 128 1.01 0.98 0.26 256 8.07 7.64 1.60 512 65.81 60.49 11.27 1024 594.91 495.92 189.05 30 Integration Example • An integration of the cosine function between 0 and π/2 • Integration scheme is mid-point rule for simplicity. • Several parallel methods will be demonstrated. p b n cos(x)dx a i 1 j 1 Worker 1 aij h aij n h cos(aij 2 )h cos(x)dx i 1 j 1 p mid-point of increment Worker 2 cos(x) h Worker 3 a = 0; b = pi/2; % range m = 8; % # of increments h = (b-a)/m; % increment p = numlabs; n = m/p; % inc. / worker ai = a + (i-1)*n*h; aij = ai + (j-1)*h; Worker 4 x=a Fall 2010 x=b 31 Integration Example — the Kernel n function intOut = Integral(fct, a, b, n) %function intOut = Integral(fct, a, b, n) % performs mid-point rule integration of "fct" % fct -- integrand (cos, sin, etc.) % a -- starting point of the range of integration % b –- end point of the range of integration % n -- number of increments % Usage example: >> Integral(@cos, 0, pi/2, 500) j 1 cos(aij h2 )h % 0 to pi/2 h = (b – a)/n; % increment length intOut = 0.0; % initialize integral for j=1:n % sum integrals aij = a +(j-1)*h; % function is evaluated at mid-interval intOut = intOut + fct(aij+h/2)*h; end Vector form of the function: function intOut = Integral(fct, a, b, n) h = (b – a)/n; aij = a + (0:n-1)*h; intOut = sum(fct(aij+h/2))*h; Fall 2010 32 Integration Example — Serial Integration % serial integration tic m = 10000; a = 0; b = pi*0.5; intSerial = Integral(@cos, a, b, m); toc Fall 2010 33 Integration Example Benchmarks increment For loop vector 10000 0.011 0.0002 20000 0.022 0.0004 40000 0.044 0.0008 80000 0.087 0.0016 160000 0.1734 0.0033 320000 0.3488 0.0069 Timings (seconds) obtained on a quad-core Xeon X5570 Computation linearly proportional to # of increments. FORTRAN and C timings are an order of magnitude faster. Fall 2010 34 Compiler A MATLAB compiler, mcc, is available. It compiles m-files into C codes, object libraries, or stand-alone executables. A stand-alone executable generated with mcc can run on compatible platforms without an installed MATLAB or a MATLAB license. Many MATLAB general and toolbox licenses are available. Infrequently, MATLAB access may be denied if all licenses are checked out. Running a stand-alone requires NO licenses and no waiting. Fall 2010 35 Compiler (Cont’d) Some compiled codes may run more efficiently than m-files because they are not run in interpretive mode. A stand-alone enables you to share it without revealing the source. www.bu.edu/tech/research/training/tutorials/matlab/vector/miscs/compiler/ Fall 2010 36 Compiler (Cont’d) How to build a standalone executable >> mcc –o ssor2Dijc –m ssor2Dij How to run ssor2Dijc on Katana Katana% run_ssor2Dijc.sh /usr/local/apps/matlab_2009b 256 256 Input arguments MATLAB root Details: • The m-file is ssor2Dij.m • Input arguments to code are processed as strings by mcc. Convert with str2num if need be. ssor2Dij.m requires 2 inputs; m, n if isdeployed, m=str2num(m); end • Output cannot be returned; either save to file or display on screen. • The executable is ssor2Dijc • run_ssor2Dijc.sh is the run script generated by mcc. • None of SOR codes benefits, in runtime, from mcc. Fall 2010 37 MATLAB Programming Tools profile - profiler to identify “hot spots” for performance enhancement. mlint - for inconsistencies and suspicious constructs in M-files. debug - MATLAB debugger. guide - Graphical User Interface design tool. Fall 2010 38 MATLAB profiler To use profile viewer, DONOT start MATLAB with –nojvm option >> profile on –detail 'builtin' –timer 'real' >> % run code to be Turns on profiler. –detail 'builtin' >> % profiled here enables MATLAB builtin functions; >> % -timer 'real' reports wallclock time. >> % >> profile viewer % view profiling data >> profile off % turn off profiler Profiling example. >> profile on >> ssor2Dij % profiling the SOR Laplace solver >> profile viewer >> profile off Fall 2010 39 How to Save Profiling Data Two ways to save profiling data: 1. Save into a directory of HTML files Viewing is static, i.e., the profiling data displayed correspond to a prescribed set of options. View with a browser. 2. Saved as a MAT file Viewing is dynamic; you can change the options. Must be viewed in the MATLAB environment. Fall 2010 40 Profiling – save as HTML files Viewing is static, i.e., the profiling data displayed correspond to a prescribed set of options. View with a browser. >> profile on >> plot(magic(20)) >> profile viewer >> p = profile('info'); >> profsave(p, ‘my_profile') % html files in my_profile dir Fall 2010 41 Profiling – save as MAT file Viewing is dynamic; you can change the options. Must be viewed in the MATLAB environment. >> >> >> >> >> >> >> >> Fall 2010 profile on plot(magic(20)) profile viewer p = profile('info'); save myprofiledata p clear p load myprofiledata profview(0,p) 42 MATLAB “grammar checker” mlint is used to identify coding inconsistencies and make coding performance improvement recommendations. mlint is a standalone utility; it is an option in profile. MATLAB editor provides this feature. Debug mode can also be invoked through editor. Fall 2010 43 Running MATLAB in Command Line Mode and Batch matlab -nodisplay –nosplash –r myfile Add –nojvm if Java is not needed to save memory For batch jobs on Katana, use the above command in the batch script. Visit http://www.bu.edu/tech/research/computation/linuxcluster/katana-cluster/runningjobs/ for instructions on running batch jobs. Fall 2010 44 Comment Out Block Of Statements Often in code debugging, one wants to comment out an entire block of statements. Three convenient ways to do it: 1. %{ n = 3000; x = rand(n); %} 2. Select the statement block with the mouse, then press the control key along with the key “r”, MATLAB prepends the “%” key to each line of the selected block. Uncomment by first select the statement block followed by Ctrl “t”. 3. if 0 n = 3000; x = rand(n); end Fall 2010 45 Useful SCV Info Please help us do better in the future by participating in a quick survey: http://scv.bu.edu/survey/fall10tut_survey.html • SCV home page (http://scv.bu.edu/) • Resource Applications (https://acct.bu.edu/SCF) • Help – Web-based tutorials (http://scv.bu.edu/) (MPI, OpenMP, MATLAB, IDL, Graphics tools) – HPC consultations by appointment • Kadin Tseng (kadin@bu.edu) • Doug Sondak (sondak@bu.edu) – help@twister.bu.edu, help@cootie.bu.edu Fall 2010 46