Solving sparse systems

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There are many methods available for solving sparse systems. We compare some of them here.

Matrix of the discretized PDE.
Figure 1: Matrix of the discretized PDE.

Mathematica has the following methods available (https://reference.wolfram.com/language/ref/LinearSolve.html#DetailsAndOptions)

  • direct: banded, cholesky, multifrontal (direct sparse LU)
  • iterative: Krylov

Matlab has the following methods:

Eigen has the following methods: (https://eigen.tuxfamily.org/dox-devel/group__TopicSparseSystems.html)

  • direct: sparse LU
  • iterative: bicgstab, cg

Solving a simple sparse system $A x = b$ for steady space of heat equation in 1d with $n$ nodes, results in a matrix shown in Figure 1.

The following timings of solvers are given in seconds:

$n = 10^6$ Matlab Mathematica Eigen
Banded 0.16 0.28 0.04
SparseLU / 1.73 0.82
BICGStab / Krylov 0.33 0.39 0.53

Incomplete LU preconditioner was used for BICGStab. Without the preconditioner BICGStab does not converge.

BICGStab can be run in parallel, as explain in the general parallelism: https://eigen.tuxfamily.org/dox/TopicMultiThreading.html, and specifically

"When using sparse matrices, best performance is achied for a row-major sparse matrix format.
Moreover, in this case multi-threading can be exploited if the user code is compiled with OpenMP enabled".

Eigen uses number of threads specified my OopenMP, unless Eigen::setNbThreads(n); was called. Minimal working example:

Matrix of the discretized PDE.
Figure 2: Memory and CPU usage. C stands for consttruction of the system, L stands for the calculation of ILUT preconditioner and S for BICGStab iteration.
 1 #include <iostream>
 2 #include <vector>
 3 #include "Eigen/Sparse"
 4 #include "Eigen/IterativeLinearSolvers"
 5 
 6 using namespace std;
 7 using namespace Eigen;
 8 
 9 int main(int argc, char* argv[]) {
10 
11     assert(argc == 2 && "Second argument is size of the system.");
12     stringstream ss(argv[1]);
13     int n;
14     ss >> n;
15     cout << "n = " << n << endl;
16 
17     // Fill the matrix
18     VectorXd b = VectorXd::Ones(n) / n / n;
19     b(0) = b(n-1) = 1;
20     SparseMatrix<double, RowMajor> A(n, n);
21     A.reserve(vector<int>(n, 3));  // 3 per row
22     for (int i = 0; i < n-1; ++i) {
23         A.insert(i, i) = -2;
24         A.insert(i, i+1) = 1;
25         A.insert(i+1, i) = 1;
26     }
27     A.coeffRef(0, 0) = 1;
28     A.coeffRef(0, 1) = 0;
29     A.coeffRef(n-1, n-2) = 0;
30     A.coeffRef(n-1, n-1) = 1;
31 
32     // Solve the system
33     BiCGSTAB<SparseMatrix<double, RowMajor>, IncompleteLUT<double>> solver;
34     solver.setTolerance(1e-10);
35     solver.setMaxIterations(1000);
36     solver.compute(A);
37     VectorXd x = solver.solve(b);
38     cout << "#iterations:     " << solver.iterations() << endl;
39     cout << "estimated error: " << solver.error()      << endl;
40     cout << "sol: " << x.head(6).transpose() << endl;
41 
42     return 0;
43 }

was compiled with g++ -o parallel_solve -O3 -fopenmp solver_test_parallel.cpp. Figure 2 was produced when the program above was run as ./parallel_solve 10000000.