Documentation for Release 2024.2

Writing Pde Solvers Two

This tutorial is automatically generated from TestWritingPdeSolversTwoTutorial.hpp at revision 3c544f98da9c. Note that the code is given in full at the bottom of the page.

Introduction

In the previous tutorial we showed how a PDE solver could be written for the ‘simple’ case in which the FEM discretisation leads to a linear system Ax=b where both A and b are ‘assembled’. In this tutorial, we consider the more general case, and show to write assembler classes which assemble one particular matrix or vector, and how to write solver classes which use assemblers to create and solve the FEM linear system.

We will take as the test problem the heat equation, $u_t = u_{xx}$, with Dirichlet BCs $u = u^*$ on $\Gamma_1$ and $\partial u/\partial n = g$ on $\Gamma_2$.

We write a solver which uses an explicit time-discretisation (as opposed to the implicit discretisations used throughout the rest of the code). The FEM linear system that needs to be set up is

M U^{n+1} = (M + dt K) U^{n}  +  c

where M is the mass matrix, K the stiffness matrix, and U^{n} the vector of nodal values of $u$ at timestep n. c is the surface integral term coming from the Neumann BCs, i.e. $c_i = \int_{\Gamma_2} g \phi_i dS$. (This can be compared with an implicit time-discretisation, for which we solve (M - dt K) U^{n+1} = M U^{n} + c).

Let us call M + dt*K the ‘RHS matrix’. We will write a solver, inheriting from AbstractDynamicLinearPdeSolver, which is going to use three assemblers:

(i) an assembler of the mass matrix (already written);
(ii) an assembler of the RHS matrix (we have to write this ourselves); and
(iii) an assembler of surface term, c (already written).

Firstly, include AbstractFeVolumeIntegralAssembler which the assembler we write will inherit from, and AbstractDynamicLinearPdeSolver, which the solver we write will inherit from.

#include <cxxtest/TestSuite.h>
#include "AbstractFeVolumeIntegralAssembler.hpp"
#include "AbstractDynamicLinearPdeSolver.hpp"

Some standard includes

#include "TetrahedralMesh.hpp"
#include "TrianglesMeshReader.hpp"
#include "PetscSetupAndFinalize.hpp"

The two assemblers that we can use

#include "MassMatrixAssembler.hpp"
#include "NaturalNeumannSurfaceTermAssembler.hpp"

Ignore these for the time being

//#include "HeatEquation.hpp"
//#include "SimpleLinearParabolicSolver.hpp"

Writing assemblers

We need to write an assembler for setting up the matrix M + dt K.

Any new assembler should inherit from AbstractFeVolumeIntegralAssembler, which deals with looping over elements, looping over quadrature points, etc. Concrete classes need to provide the integrand for the matrix or vector being assembled (exactly as in the previous tutorials). However, in general, the assembler class can be used to assemble a matrix OR a vector OR both. The class we write here needs to assemble a matrix but not a vector. Note that the parent class AbstractFeVolumeIntegralAssembler has two booleans in the template list (as well as the dimension template parameters as normal) - these booleans say whether this class will be assembling a vector or a matrix (or both).

template<unsigned DIM>
class RhsMatrixAssembler
    : public AbstractFeVolumeIntegralAssembler<DIM,DIM,1/*problem dim*/,false /*doesn't assemble vectors*/,true/*assembles a matrix*/,NORMAL /*amount of interpolation*/>
{
private:

Even when a class isn’t being written for a very general dimensions sometimes it is a good idea to define the following, and then use ELEMENT_DIM etc in the below, as it can make the code a bit easier to understand.

    static const unsigned ELEMENT_DIM = DIM;
    static const unsigned SPACE_DIM = DIM;
    static const unsigned PROBLEM_DIM = 1;

We are assembling a matrix, we means we need to provide a ComputeMatrixTerm() method, to return the elemental contribution to the RHS matrix. Note that ELEMENT_DIM+1 is the number of nodes in the element (=number of basis functions).

    c_matrix<double,PROBLEM_DIM*(ELEMENT_DIM+1),PROBLEM_DIM*(ELEMENT_DIM+1)> ComputeMatrixTerm(
                                                                                c_vector<double, ELEMENT_DIM+1> &rPhi,
                                                                                c_matrix<double, SPACE_DIM, ELEMENT_DIM+1> &rGradPhi,
                                                                                ChastePoint<SPACE_DIM> &rX,
                                                                                c_vector<double,PROBLEM_DIM> &rU,
                                                                                c_matrix<double, PROBLEM_DIM, SPACE_DIM> &rGradU /* not used */,
                                                                                Element<ELEMENT_DIM,SPACE_DIM>* pElement)
    {
        c_matrix<double, ELEMENT_DIM+1, ELEMENT_DIM+1> ret = zero_matrix<double>(ELEMENT_DIM+1,ELEMENT_DIM+1);

        double dt = PdeSimulationTime::GetPdeTimeStep();

        for (unsigned i=0; i<ELEMENT_DIM+1; i++) // essentially a loop over the basis functions
        {
            for (unsigned j=0; j<ELEMENT_DIM+1; j++) // essentially a loop over the basis functions
            {
                // mass matrix
                ret(i,j) = rPhi(i)*rPhi(j);
                // -dt * stiffness matrix
                for (unsigned dim=0; dim<SPACE_DIM; dim++)
                {
                    ret(i,j) -= dt * rGradPhi(dim,i)*rGradPhi(dim,j);
                }
            }
        }
        return ret;
        // this could been done more efficiently and succinctly
        // using outer_prod(rPhi, rPhi) and prod(trans(rGradPhi), rGradPhi);
    }

(If we were (also) assembling a vector, we would also have to provide a ComputeVectorTerm() method, which is very similar).

Now write the constructor.

public:
    RhsMatrixAssembler(AbstractTetrahedralMesh<ELEMENT_DIM,SPACE_DIM>* pMesh)
        : AbstractFeVolumeIntegralAssembler<ELEMENT_DIM,SPACE_DIM,1,false,true,NORMAL>(pMesh)
    {
    }
};

That’s the assembler written. The following solver class will show how to use it.

Writing the solver class

The parent class here is AbstractDynamicLinearPdeSolver, which contains a linear system (this->mpLinearSystem), and will deal with allocating memory and solving the linear system. The concrete class needs to implement a SetupLinearSystem() method which completely sets up the linear system. In this case, it needs to set the LHS matrix in the linear system to be M, and set the RHS vector to be rhs_matrix * current_soln.

template<unsigned DIM>
class ExplicitHeatEquationSolver : public AbstractDynamicLinearPdeSolver<DIM,DIM,1>
{
private:

The constuctor will take in a mesh and a BCC, the latter will be stored as a member variable

    BoundaryConditionsContainer<DIM,DIM,1>* mpBoundaryConditions;

Declare a matrix for the RHS matrix

    Mat mRhsMatrix;

This is the main method which needs to be implemented. It takes in the current solution, and a boolean saying whether the matrix (ie $A$ in $Ax=b$) is being computed or not.

    void SetupLinearSystem(Vec currentSolution, bool computeMatrix)
    {

This is how to use assemblers to set up matrices. We declare a mass matrix assembler, pass it the LHS matrix of the linear system, and tell it to assemble. We also declare one of our purpose-built RhsMatrixAssemblers, pass it the matrix mRhsMatrix, and tell it to assemble.

Important note: if any of the assemblers will require the current solution (ie solution at the current timestep), this needs to be passed to the assembler, as in the commented line below.

        if (computeMatrix)
        {
            MassMatrixAssembler<DIM,DIM> mass_matrix_assembler(this->mpMesh);
            RhsMatrixAssembler<DIM> rhs_matrix_assembler(this->mpMesh);

            mass_matrix_assembler.SetMatrixToAssemble(this->mpLinearSystem->rGetLhsMatrix());
            mass_matrix_assembler.AssembleMatrix();

            rhs_matrix_assembler.SetMatrixToAssemble(mRhsMatrix);
            //rhs_matrix_assembler.SetCurrentSolution(currentSolution);
            rhs_matrix_assembler.AssembleMatrix();

            this->mpLinearSystem->FinaliseLhsMatrix(); // (Petsc communication)
            PetscMatTools::Finalise(mRhsMatrix);       // (Petsc communication)
        }

Use the RHS matrix to set up the RHS vector, ie set b=(M+dtK)U^n

        MatMult(mRhsMatrix, currentSolution, this->mpLinearSystem->rGetRhsVector());

The third assembler we use is the NaturalNeumannSurfaceTermAssembler, which assembles the vector c defined above, using the Neumann BCs stored in the BoundaryConditionsContainer which is passed in in the constructor

        NaturalNeumannSurfaceTermAssembler<DIM,DIM,1> surface_integral_assembler(this->mpMesh, mpBoundaryConditions);
        surface_integral_assembler.SetVectorToAssemble(this->mpLinearSystem->rGetRhsVector(), false /*don't zero vector before assembling!*/);
        surface_integral_assembler.Assemble();

Some necessary PETSc communication before applying Dirichet BCs

        this->mpLinearSystem->FinaliseRhsVector();         // (Petsc communication)
        this->mpLinearSystem->SwitchWriteModeLhsMatrix();  // (Petsc communication - needs to called when going from adding entries to inserting entries)

Apply the dirichlet BCs from the BCC to the linear system

        mpBoundaryConditions->ApplyDirichletToLinearProblem(*(this->mpLinearSystem), computeMatrix);

Some necessary PETSc communication to finish

        this->mpLinearSystem->FinaliseRhsVector();
        this->mpLinearSystem->FinaliseLhsMatrix();
    }
public:

The constructor needs to call the parent constructor, save the BCC, ‘‘say that the (LHS) matrix is constant in time’’ (so it is only computed once), and allocate memory for the RHS matrix.

    ExplicitHeatEquationSolver(TetrahedralMesh<DIM,DIM>* pMesh,
                               BoundaryConditionsContainer<DIM,DIM,1>* pBoundaryConditions)
         : AbstractDynamicLinearPdeSolver<DIM,DIM,1>(pMesh),
           mpBoundaryConditions(pBoundaryConditions)
    {
        this->mMatrixIsConstant = true;
        PetscTools::SetupMat(mRhsMatrix, this->mpMesh->GetNumNodes(), this->mpMesh->GetNumNodes(), 9);
    }

Destructor

    ~ExplicitHeatEquationSolver()
    {
        PetscTools::Destroy(mRhsMatrix);
    }
};

That’s all that needs to be written to write your own solver using the solver hierarchy

A test using the solver

The following test uses the new solver. Since the interface is exactly the same as the other solvers, except for not taking in a PDE (the fact that it solves a parameterless heat equation is hardcoded into the solver), all of the below should be recognisable. Note however the tiny timestep - this is needed for stability as this is an explicit scheme. Also, to compare with the implicit solver, comment out the appropriate lines below. Note that the implicit solver may seem quite slow in comparison - this is because the linear system is much harder to solve (linear system is Ax=b, for explicit then A=M, for implicit A=M-dt*K, but remember that the implicit solver can use much larger timesteps.

class TestWritingPdeSolversTwoTutorial : public CxxTest::TestSuite
{
public:
    void TestExplicitSolver()
    {
        TetrahedralMesh<2,2> mesh;
        mesh.ConstructRegularSlabMesh(0.05 /*h*/, 1.0 /*width*/, 1.0 /*height*/);

        // Set up BCs $u=0$ on entire boundary
        BoundaryConditionsContainer<2,2,1> bcc;
        bcc.DefineZeroDirichletOnMeshBoundary(&mesh);

        ExplicitHeatEquationSolver<2> solver(&mesh,&bcc);
        //// To use the old solver instead, comment out the above line
        //// and use these instead (also uncomment the appropriate includes).
        //HeatEquation<2> pde;
        //SimpleLinearParabolicSolver<2,2> solver(&mesh,&pde,&bcc);

The interface is exactly the same as the SimpleLinearParabolicSolver.

        solver.SetTimeStep(0.0001);
        solver.SetTimes(0.0, 0.2);

        std::vector<double> init_cond(mesh.GetNumNodes(), 0.0);
        for (unsigned i=0; i<mesh.GetNumNodes(); i++)
        {
            double x = mesh.GetNode(i)->rGetLocation()[0];
            double y = mesh.GetNode(i)->rGetLocation()[1];
            double distance_from_centre = sqrt( (x-0.5)*(x-0.5) + (y-0.5)*(y-0.5) );
            if (distance_from_centre < 1.0/3.0)
            {
                init_cond[i] = 1.0;
            }
        }
        Vec initial_condition = PetscTools::CreateVec(init_cond);
        solver.SetInitialCondition(initial_condition);

        solver.SetOutputDirectoryAndPrefix("ExplicitHeatEquationSolver","results");

        solver.SetOutputToTxt(true);

        solver.SetPrintingTimestepMultiple(100);

We are now ready to solve the system. We check with TS_ASSERT_DELTA() that our new solver gets the same result as the old one.

        Vec result = solver.Solve();
        ReplicatableVector result_repl(result);

        // Check nothing has changed in this tutorial
        TS_ASSERT_DELTA(result_repl[220], 0.019512, 1e-4);

        // Tidy up
        PetscTools::Destroy(initial_condition);
        PetscTools::Destroy(result);
    }
};

Full code

#include <cxxtest/TestSuite.h>
#include "AbstractFeVolumeIntegralAssembler.hpp"
#include "AbstractDynamicLinearPdeSolver.hpp"
#include "TetrahedralMesh.hpp"
#include "TrianglesMeshReader.hpp"
#include "PetscSetupAndFinalize.hpp"
#include "MassMatrixAssembler.hpp"
#include "NaturalNeumannSurfaceTermAssembler.hpp"
//#include "HeatEquation.hpp"
//#include "SimpleLinearParabolicSolver.hpp"

template<unsigned DIM>
class RhsMatrixAssembler
    : public AbstractFeVolumeIntegralAssembler<DIM,DIM,1/*problem dim*/,false /*doesn't assemble vectors*/,true/*assembles a matrix*/,NORMAL /*amount of interpolation*/>
{
private:
    static const unsigned ELEMENT_DIM = DIM;
    static const unsigned SPACE_DIM = DIM;
    static const unsigned PROBLEM_DIM = 1;

    c_matrix<double,PROBLEM_DIM*(ELEMENT_DIM+1),PROBLEM_DIM*(ELEMENT_DIM+1)> ComputeMatrixTerm(
                                                                                c_vector<double, ELEMENT_DIM+1> &rPhi,
                                                                                c_matrix<double, SPACE_DIM, ELEMENT_DIM+1> &rGradPhi,
                                                                                ChastePoint<SPACE_DIM> &rX,
                                                                                c_vector<double,PROBLEM_DIM> &rU,
                                                                                c_matrix<double, PROBLEM_DIM, SPACE_DIM> &rGradU /* not used */,
                                                                                Element<ELEMENT_DIM,SPACE_DIM>* pElement)
    {
        c_matrix<double, ELEMENT_DIM+1, ELEMENT_DIM+1> ret = zero_matrix<double>(ELEMENT_DIM+1,ELEMENT_DIM+1);

        double dt = PdeSimulationTime::GetPdeTimeStep();

        for (unsigned i=0; i<ELEMENT_DIM+1; i++) // essentially a loop over the basis functions
        {
            for (unsigned j=0; j<ELEMENT_DIM+1; j++) // essentially a loop over the basis functions
            {
                // mass matrix
                ret(i,j) = rPhi(i)*rPhi(j);
                // -dt * stiffness matrix
                for (unsigned dim=0; dim<SPACE_DIM; dim++)
                {
                    ret(i,j) -= dt * rGradPhi(dim,i)*rGradPhi(dim,j);
                }
            }
        }
        return ret;
        // this could been done more efficiently and succinctly
        // using outer_prod(rPhi, rPhi) and prod(trans(rGradPhi), rGradPhi);
    }

public:
    RhsMatrixAssembler(AbstractTetrahedralMesh<ELEMENT_DIM,SPACE_DIM>* pMesh)
        : AbstractFeVolumeIntegralAssembler<ELEMENT_DIM,SPACE_DIM,1,false,true,NORMAL>(pMesh)
    {
    }
};
template<unsigned DIM>
class ExplicitHeatEquationSolver : public AbstractDynamicLinearPdeSolver<DIM,DIM,1>
{
private:
    BoundaryConditionsContainer<DIM,DIM,1>* mpBoundaryConditions;
    Mat mRhsMatrix;

    void SetupLinearSystem(Vec currentSolution, bool computeMatrix)
    {
        if (computeMatrix)
        {
            MassMatrixAssembler<DIM,DIM> mass_matrix_assembler(this->mpMesh);
            RhsMatrixAssembler<DIM> rhs_matrix_assembler(this->mpMesh);

            mass_matrix_assembler.SetMatrixToAssemble(this->mpLinearSystem->rGetLhsMatrix());
            mass_matrix_assembler.AssembleMatrix();

            rhs_matrix_assembler.SetMatrixToAssemble(mRhsMatrix);
            //rhs_matrix_assembler.SetCurrentSolution(currentSolution);
            rhs_matrix_assembler.AssembleMatrix();

            this->mpLinearSystem->FinaliseLhsMatrix(); // (Petsc communication)
            PetscMatTools::Finalise(mRhsMatrix);       // (Petsc communication)
        }

        MatMult(mRhsMatrix, currentSolution, this->mpLinearSystem->rGetRhsVector());

        NaturalNeumannSurfaceTermAssembler<DIM,DIM,1> surface_integral_assembler(this->mpMesh, mpBoundaryConditions);
        surface_integral_assembler.SetVectorToAssemble(this->mpLinearSystem->rGetRhsVector(), false /*don't zero vector before assembling!*/);
        surface_integral_assembler.Assemble();

        this->mpLinearSystem->FinaliseRhsVector();         // (Petsc communication)
        this->mpLinearSystem->SwitchWriteModeLhsMatrix();  // (Petsc communication - needs to called when going from adding entries to inserting entries)

        mpBoundaryConditions->ApplyDirichletToLinearProblem(*(this->mpLinearSystem), computeMatrix);

        this->mpLinearSystem->FinaliseRhsVector();
        this->mpLinearSystem->FinaliseLhsMatrix();
    }
public:
    ExplicitHeatEquationSolver(TetrahedralMesh<DIM,DIM>* pMesh,
                               BoundaryConditionsContainer<DIM,DIM,1>* pBoundaryConditions)
         : AbstractDynamicLinearPdeSolver<DIM,DIM,1>(pMesh),
           mpBoundaryConditions(pBoundaryConditions)
    {
        this->mMatrixIsConstant = true;
        PetscTools::SetupMat(mRhsMatrix, this->mpMesh->GetNumNodes(), this->mpMesh->GetNumNodes(), 9);
    }

    ~ExplicitHeatEquationSolver()
    {
        PetscTools::Destroy(mRhsMatrix);
    }
};
class TestWritingPdeSolversTwoTutorial : public CxxTest::TestSuite
{
public:
    void TestExplicitSolver()
    {
        TetrahedralMesh<2,2> mesh;
        mesh.ConstructRegularSlabMesh(0.05 /*h*/, 1.0 /*width*/, 1.0 /*height*/);

        // Set up BCs $u=0$ on entire boundary
        BoundaryConditionsContainer<2,2,1> bcc;
        bcc.DefineZeroDirichletOnMeshBoundary(&mesh);

        ExplicitHeatEquationSolver<2> solver(&mesh,&bcc);
        //// To use the old solver instead, comment out the above line
        //// and use these instead (also uncomment the appropriate includes).
        //HeatEquation<2> pde;
        //SimpleLinearParabolicSolver<2,2> solver(&mesh,&pde,&bcc);

        solver.SetTimeStep(0.0001);
        solver.SetTimes(0.0, 0.2);

        std::vector<double> init_cond(mesh.GetNumNodes(), 0.0);
        for (unsigned i=0; i<mesh.GetNumNodes(); i++)
        {
            double x = mesh.GetNode(i)->rGetLocation()[0];
            double y = mesh.GetNode(i)->rGetLocation()[1];
            double distance_from_centre = sqrt( (x-0.5)*(x-0.5) + (y-0.5)*(y-0.5) );
            if (distance_from_centre < 1.0/3.0)
            {
                init_cond[i] = 1.0;
            }
        }
        Vec initial_condition = PetscTools::CreateVec(init_cond);
        solver.SetInitialCondition(initial_condition);

        solver.SetOutputDirectoryAndPrefix("ExplicitHeatEquationSolver","results");

        solver.SetOutputToTxt(true);

        solver.SetPrintingTimestepMultiple(100);
        Vec result = solver.Solve();
        ReplicatableVector result_repl(result);

        // Check nothing has changed in this tutorial
        TS_ASSERT_DELTA(result_repl[220], 0.019512, 1e-4);

        // Tidy up
        PetscTools::Destroy(initial_condition);
        PetscTools::Destroy(result);
    }
};

Writing Pde Solvers Two

Writing Tests

Writing Pde Solvers Two

Introduction#

Writing assemblers#

Writing the solver class#

A test using the solver#

Full code#

Introduction

Writing assemblers

Writing the solver class

A test using the solver

Full code