CDR_Model_impl.hpp

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//@HEADER
// *****************************************************************************
//          Tempus: Time Integration and Sensitivity Analysis Package
//
// Copyright 2017 NTESS and the Tempus contributors.
// SPDX-License-Identifier: BSD-3-Clause
// *****************************************************************************
//@HEADER
 
#ifndef NOX_THYRA_MODEL_EVALUATOR_1DFEM_DEF_HPP
#define NOX_THYRA_MODEL_EVALUATOR_1DFEM_DEF_HPP
 
// Thyra support
#include "Thyra_DefaultSpmdVectorSpace.hpp"
#include "Thyra_DefaultSerialDenseLinearOpWithSolveFactory.hpp"
#include "Thyra_DetachedMultiVectorView.hpp"
#include "Thyra_DetachedVectorView.hpp"
#include "Thyra_MultiVectorStdOps.hpp"
#include "Thyra_VectorStdOps.hpp"
#include "Thyra_PreconditionerBase.hpp"
 
// Epetra support
#include "Thyra_EpetraThyraWrappers.hpp"
#include "Thyra_EpetraLinearOp.hpp"
#include "Thyra_get_Epetra_Operator.hpp"
#include "Epetra_Comm.h"
#include "Epetra_Map.h"
#include "Epetra_Vector.h"
#include "Epetra_Import.h"
#include "Epetra_CrsGraph.h"
#include "Epetra_CrsMatrix.h"
 
namespace Tempus_Test {
 
// Constructor
 
template <class Scalar>
CDR_Model<Scalar>::CDR_Model(const Teuchos::RCP<const Epetra_Comm>& comm,
                             const int num_global_elements, const Scalar z_min,
                             const Scalar z_max, const Scalar a, const Scalar k)
  : comm_(comm),
    num_global_elements_(num_global_elements),
    z_min_(z_min),
    z_max_(z_max),
    a_(a),
    k_(k),
    showGetInvalidArg_(false)
{
  using Teuchos::RCP;
  using Teuchos::rcp;
  using ::Thyra::VectorBase;
  typedef ::Thyra::ModelEvaluatorBase MEB;
  typedef Teuchos::ScalarTraits<Scalar> ST;
 
  TEUCHOS_ASSERT(nonnull(comm_));
 
  const int num_nodes = num_global_elements_ + 1;
 
  // owned space
  x_owned_map_ = rcp(new Epetra_Map(num_nodes, 0, *comm_));
  x_space_     = ::Thyra::create_VectorSpace(x_owned_map_);
 
  // ghosted space
  if (comm_->NumProc() == 1) {
    x_ghosted_map_ = x_owned_map_;
  }
  else {
    int OverlapNumMyElements;
    int OverlapMinMyGID;
    OverlapNumMyElements = x_owned_map_->NumMyElements() + 2;
    if ((comm_->MyPID() == 0) || (comm_->MyPID() == (comm_->NumProc() - 1)))
      OverlapNumMyElements--;
 
    if (comm_->MyPID() == 0)
      OverlapMinMyGID = x_owned_map_->MinMyGID();
    else
      OverlapMinMyGID = x_owned_map_->MinMyGID() - 1;
 
    int* OverlapMyGlobalElements = new int[OverlapNumMyElements];
 
    for (int i = 0; i < OverlapNumMyElements; i++)
      OverlapMyGlobalElements[i] = OverlapMinMyGID + i;
 
    x_ghosted_map_ = Teuchos::rcp(new Epetra_Map(
        -1, OverlapNumMyElements, OverlapMyGlobalElements, 0, *comm_));
 
    delete[] OverlapMyGlobalElements;
  }
 
  importer_ = Teuchos::rcp(new Epetra_Import(*x_ghosted_map_, *x_owned_map_));
 
  // residual space
  f_owned_map_ = x_owned_map_;
  f_space_     = x_space_;
 
  x0_ = ::Thyra::createMember(x_space_);
  V_S(x0_.ptr(), ST::zero());
 
  //   set_p(Teuchos::tuple<Scalar>(p0, p1)());
  //   set_x0(Teuchos::tuple<Scalar>(x0, x1)());
 
  // Initialize the graph for W CrsMatrix object
  W_graph_ = createGraph();
 
  // Create the nodal coordinates
  {
    node_coordinates_ = Teuchos::rcp(new Epetra_Vector(*x_owned_map_));
    Scalar length     = z_max_ - z_min_;
    Scalar dx         = length / ((double)num_global_elements_ - 1);
    for (int i = 0; i < x_owned_map_->NumMyElements(); i++) {
      (*node_coordinates_)[i] =
          z_min_ + dx * ((double)x_owned_map_->MinMyGID() + i);
    }
  }
 
  MEB::InArgsSetup<Scalar> inArgs;
  inArgs.setModelEvalDescription(this->description());
  inArgs.setSupports(MEB::IN_ARG_t);
  inArgs.setSupports(MEB::IN_ARG_x);
  inArgs.setSupports(MEB::IN_ARG_beta);
  inArgs.setSupports(MEB::IN_ARG_x_dot);
  inArgs.setSupports(MEB::IN_ARG_alpha);
  prototypeInArgs_ = inArgs;
 
  MEB::OutArgsSetup<Scalar> outArgs;
  outArgs.setModelEvalDescription(this->description());
  outArgs.setSupports(MEB::OUT_ARG_f);
  outArgs.setSupports(MEB::OUT_ARG_W);
  outArgs.setSupports(MEB::OUT_ARG_W_op);
  outArgs.setSupports(MEB::OUT_ARG_W_prec);
  //   outArgs.set_W_properties(DerivativeProperties(
  //                  DERIV_LINEARITY_NONCONST
  //                  ,DERIV_RANK_FULL
  //                  ,true // supportsAdjoint
  //                  ));
  prototypeOutArgs_ = outArgs;
 
  // Setup nominal values
  nominalValues_ = inArgs;
  nominalValues_.set_x(x0_);
  auto x_dot_init = Thyra::createMember(this->get_x_space());
  Thyra::put_scalar(Scalar(0.0), x_dot_init.ptr());
  nominalValues_.set_x_dot(x_dot_init);
}
 
// Initializers/Accessors
 
template <class Scalar>
Teuchos::RCP<Epetra_CrsGraph> CDR_Model<Scalar>::createGraph()
{
  Teuchos::RCP<Epetra_CrsGraph> W_graph;
 
  // Create the shell for the
  W_graph = Teuchos::rcp(new Epetra_CrsGraph(Copy, *x_owned_map_, 5));
 
  // Declare required variables
  int row;
  int column;
  int OverlapNumMyElements = x_ghosted_map_->NumMyElements();
 
  // Loop Over # of Finite Elements on Processor
  for (int ne = 0; ne < OverlapNumMyElements - 1; ne++) {
    // Loop over Nodes in Element
    for (int i = 0; i < 2; i++) {
      row = x_ghosted_map_->GID(ne + i);
 
      // Loop over Trial Functions
      for (int j = 0; j < 2; j++) {
        // If this row is owned by current processor, add the index
        if (x_owned_map_->MyGID(row)) {
          column = x_ghosted_map_->GID(ne + j);
          W_graph->InsertGlobalIndices(row, 1, &column);
        }
      }
    }
  }
  W_graph->FillComplete();
  return W_graph;
}
 
template <class Scalar>
void CDR_Model<Scalar>::set_x0(const Teuchos::ArrayView<const Scalar>& x0_in)
{
#ifdef TEUCHOS_DEBUG
  TEUCHOS_ASSERT_EQUALITY(x_space_->dim(), x0_in.size());
#endif
  Thyra::DetachedVectorView<Scalar> x0(x0_);
  x0.sv().values()().assign(x0_in);
}
 
template <class Scalar>
void CDR_Model<Scalar>::setShowGetInvalidArgs(bool showGetInvalidArg)
{
  showGetInvalidArg_ = showGetInvalidArg;
}
 
template <class Scalar>
void CDR_Model<Scalar>::set_W_factory(
    const Teuchos::RCP<const ::Thyra::LinearOpWithSolveFactoryBase<Scalar> >&
        W_factory)
{
  W_factory_ = W_factory;
}
 
// Public functions overridden from ModelEvaluator
 
template <class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
CDR_Model<Scalar>::get_x_space() const
{
  return x_space_;
}
 
template <class Scalar>
Teuchos::RCP<const Thyra::VectorSpaceBase<Scalar> >
CDR_Model<Scalar>::get_f_space() const
{
  return f_space_;
}
 
template <class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar> CDR_Model<Scalar>::getNominalValues()
    const
{
  return nominalValues_;
}
 
template <class Scalar>
Teuchos::RCP<Thyra::LinearOpWithSolveBase<double> >
CDR_Model<Scalar>::create_W() const
{
  Teuchos::RCP<const Thyra::LinearOpWithSolveFactoryBase<double> > W_factory =
      this->get_W_factory();
 
  TEUCHOS_TEST_FOR_EXCEPTION(is_null(W_factory), std::runtime_error,
                             "W_factory in CDR_Model has a null W_factory!");
 
  Teuchos::RCP<Thyra::LinearOpBase<double> > matrix = this->create_W_op();
 
  Teuchos::RCP<Thyra::LinearOpWithSolveBase<double> > W =
      Thyra::linearOpWithSolve<double>(*W_factory, matrix);
 
  return W;
}
 
template <class Scalar>
Teuchos::RCP<Thyra::LinearOpBase<Scalar> > CDR_Model<Scalar>::create_W_op()
    const
{
  Teuchos::RCP<Epetra_CrsMatrix> W_epetra =
      Teuchos::rcp(new Epetra_CrsMatrix(::Copy, *W_graph_));
 
  return Thyra::nonconstEpetraLinearOp(W_epetra);
}
 
template <class Scalar>
Teuchos::RCP< ::Thyra::PreconditionerBase<Scalar> >
CDR_Model<Scalar>::create_W_prec() const
{
  Teuchos::RCP<Epetra_CrsMatrix> W_epetra =
      Teuchos::rcp(new Epetra_CrsMatrix(::Copy, *W_graph_));
 
  const Teuchos::RCP<Thyra::LinearOpBase<Scalar> > W_op =
      Thyra::nonconstEpetraLinearOp(W_epetra);
 
  Teuchos::RCP<Thyra::DefaultPreconditioner<Scalar> > prec =
      Teuchos::rcp(new Thyra::DefaultPreconditioner<Scalar>);
 
  prec->initializeRight(W_op);
 
  return prec;
}
 
template <class Scalar>
Teuchos::RCP<const Thyra::LinearOpWithSolveFactoryBase<Scalar> >
CDR_Model<Scalar>::get_W_factory() const
{
  return W_factory_;
}
 
template <class Scalar>
Thyra::ModelEvaluatorBase::InArgs<Scalar> CDR_Model<Scalar>::createInArgs()
    const
{
  return prototypeInArgs_;
}
 
// Private functions overridden from ModelEvaluatorDefaultBase
 
template <class Scalar>
Thyra::ModelEvaluatorBase::OutArgs<Scalar>
CDR_Model<Scalar>::createOutArgsImpl() const
{
  return prototypeOutArgs_;
}
 
template <class Scalar>
void CDR_Model<Scalar>::evalModelImpl(
    const Thyra::ModelEvaluatorBase::InArgs<Scalar>& inArgs,
    const Thyra::ModelEvaluatorBase::OutArgs<Scalar>& outArgs) const
{
  using Teuchos::RCP;
  using Teuchos::rcp;
  using Teuchos::rcp_dynamic_cast;
 
  TEUCHOS_ASSERT(nonnull(inArgs.get_x()));
  TEUCHOS_ASSERT(nonnull(inArgs.get_x_dot()));
 
  // const Thyra::ConstDetachedVectorView<Scalar> x(inArgs.get_x());
 
  const RCP<Thyra::VectorBase<Scalar> > f_out   = outArgs.get_f();
  const RCP<Thyra::LinearOpBase<Scalar> > W_out = outArgs.get_W_op();
  const RCP<Thyra::PreconditionerBase<Scalar> > W_prec_out =
      outArgs.get_W_prec();
 
  if (nonnull(f_out) || nonnull(W_out) || nonnull(W_prec_out)) {
    // ****************
    // Get the underlying epetra objects
    // ****************
 
    RCP<Epetra_Vector> f;
    if (nonnull(f_out)) {
      f = Thyra::get_Epetra_Vector(*f_owned_map_, outArgs.get_f());
    }
 
    RCP<Epetra_CrsMatrix> J;
    if (nonnull(W_out)) {
      RCP<Epetra_Operator> W_epetra = Thyra::get_Epetra_Operator(*W_out);
      J                             = rcp_dynamic_cast<Epetra_CrsMatrix>(W_epetra);
      TEUCHOS_ASSERT(nonnull(J));
    }
 
    RCP<Epetra_CrsMatrix> M_inv;
    if (nonnull(W_prec_out)) {
      RCP<Epetra_Operator> M_epetra =
          Thyra::get_Epetra_Operator(*(W_prec_out->getNonconstRightPrecOp()));
      M_inv = rcp_dynamic_cast<Epetra_CrsMatrix>(M_epetra);
      TEUCHOS_ASSERT(nonnull(M_inv));
      J_diagonal_ = Teuchos::rcp(new Epetra_Vector(*x_owned_map_));
    }
 
    // ****************
    // Create ghosted objects
    // ****************
 
    // Set the boundary condition directly.  Works for both x and xDot solves.
    if (comm_->MyPID() == 0) {
      RCP<Thyra::VectorBase<Scalar> > x =
          Teuchos::rcp_const_cast<Thyra::VectorBase<Scalar> >(inArgs.get_x());
      (*Thyra::get_Epetra_Vector(*x_owned_map_, x))[0] = 1.0;
    }
 
    if (is_null(u_ptr))
      u_ptr = Teuchos::rcp(new Epetra_Vector(*x_ghosted_map_));
 
    u_ptr->Import(*(Thyra::get_Epetra_Vector(*x_owned_map_, inArgs.get_x())),
                  *importer_, Insert);
 
    if (is_null(u_dot_ptr))
      u_dot_ptr = Teuchos::rcp(new Epetra_Vector(*x_ghosted_map_));
 
    u_dot_ptr->Import(
        *(Thyra::get_Epetra_Vector(*x_owned_map_, inArgs.get_x_dot())),
        *importer_, Insert);
 
    if (is_null(x_ptr)) {
      x_ptr = Teuchos::rcp(new Epetra_Vector(*x_ghosted_map_));
      x_ptr->Import(*node_coordinates_, *importer_, Insert);
    }
 
    Epetra_Vector& u     = *u_ptr;
    Epetra_Vector& u_dot = *u_dot_ptr;
    Epetra_Vector& x     = *x_ptr;
 
    int ierr                 = 0;
    int OverlapNumMyElements = x_ghosted_map_->NumMyElements();
 
    double xx[2];
    double uu[2];
    double uu_dot[2];
    Basis basis;
    const auto alpha = inArgs.get_alpha();
    const auto beta  = inArgs.get_beta();
 
    // Zero out the objects that will be filled
    if (nonnull(f)) f->PutScalar(0.0);
    if (nonnull(J)) J->PutScalar(0.0);
    if (nonnull(M_inv)) M_inv->PutScalar(0.0);
 
    // Loop Over # of Finite Elements on Processor
    for (int ne = 0; ne < OverlapNumMyElements - 1; ne++) {
      // Loop Over Gauss Points
      for (int gp = 0; gp < 2; gp++) {
        // Get the solution and coordinates at the nodes
        xx[0]     = x[ne];
        xx[1]     = x[ne + 1];
        uu[0]     = u[ne];
        uu[1]     = u[ne + 1];
        uu_dot[0] = u_dot[ne];
        uu_dot[1] = u_dot[ne + 1];
        // Calculate the basis function at the gauss point
        basis.computeBasis(gp, xx, uu, uu_dot);
 
        // Loop over Nodes in Element
        for (int i = 0; i < 2; i++) {
          int row = x_ghosted_map_->GID(ne + i);
          // printf("Proc=%d GlobalRow=%d LocalRow=%d Owned=%d\n",
          //      MyPID, row, ne+i,x_owned_map_.MyGID(row));
          if (x_owned_map_->MyGID(row)) {
            if (nonnull(f)) {
              (*f)[x_owned_map_->LID(x_ghosted_map_->GID(ne + i))] +=
                  +basis.wt * basis.dz *
                  (basis.uu_dot * basis.phi[i]                  // transient
                   + (a_ / basis.dz * basis.duu * basis.phi[i]  // convection
                      + 1.0 / (basis.dz * basis.dz)) *
                         basis.duu * basis.dphide[i]            // diffusion
                   + k_ * basis.uu * basis.uu * basis.phi[i]);  // source
            }
          }
          // Loop over Trial Functions
          if (nonnull(J)) {
            for (int j = 0; j < 2; j++) {
              if (x_owned_map_->MyGID(row)) {
                int column = x_ghosted_map_->GID(ne + j);
                double jac = basis.wt * basis.dz *
                             (alpha * basis.phi[i] * basis.phi[j]  // transient
                              + beta * (+a_ / basis.dz * basis.dphide[j] *
                                            basis.phi[i]  // convection
                                        + (1.0 / (basis.dz * basis.dz)) *
                                              basis.dphide[j] *
                                              basis.dphide[i]  // diffusion
                                        + 2.0 * k_ * basis.uu * basis.phi[j] *
                                              basis.phi[i]  // source
                                        ));
                ierr = J->SumIntoGlobalValues(row, 1, &jac, &column);
              }
            }
          }
          if (nonnull(M_inv)) {
            for (int j = 0; j < 2; j++) {
              if (x_owned_map_->MyGID(row)) {
                int column = x_ghosted_map_->GID(ne + j);
                // The prec will be the diagonal of J. No need to assemble the
                // other entries
                if (row == column) {
                  double jac =
                      basis.wt * basis.dz *
                      (alpha * basis.phi[i] * basis.phi[j]  // transient
                       + beta * (+a_ / basis.dz * basis.dphide[j] *
                                     basis.phi[i]  // convection
                                 + (1.0 / (basis.dz * basis.dz)) *
                                       basis.dphide[j] *
                                       basis.dphide[i]  // diffusion
                                 + 2.0 * k_ * basis.uu * basis.phi[j] *
                                       basis.phi[i]  // source
                                 ));
                  ierr = M_inv->SumIntoGlobalValues(row, 1, &jac, &column);
                }
              }
            }
          }
        }
      }
    }
 
    // Insert Boundary Conditions and modify Jacobian and function (F)
    // U(0)=1
    if (comm_->MyPID() == 0) {
      if (nonnull(f))
        (*f)[0] = 0.0;  // Setting BC above and zero residual here works for x
                        // and xDot solves.
      //(*f)[0]= u[0] - 1.0;   // BC equation works for x solves.
      if (nonnull(J)) {
        int column = 0;
        double jac = 1.0;
        ierr       = J->ReplaceGlobalValues(0, 1, &jac, &column);
        column     = 1;
        jac        = 0.0;
        ierr       = J->ReplaceGlobalValues(0, 1, &jac, &column);
      }
      if (nonnull(M_inv)) {
        int column = 0;
        double jac = 1.0;
        ierr       = M_inv->ReplaceGlobalValues(0, 1, &jac, &column);
        column     = 1;
        jac        = 0.0;
        ierr       = M_inv->ReplaceGlobalValues(0, 1, &jac, &column);
      }
    }
 
    if (nonnull(J)) J->FillComplete();
 
    if (nonnull(M_inv)) {
      // invert the Jacobian diagonal for the preconditioner
      M_inv->ExtractDiagonalCopy(*J_diagonal_);
 
      for (int i = 0; i < J_diagonal_->MyLength(); ++i)
        (*J_diagonal_)[i] = 1.0 / ((*J_diagonal_)[i]);
 
      M_inv->PutScalar(0.0);
      M_inv->ReplaceDiagonalValues(*J_diagonal_);
      M_inv->FillComplete();
    }
 
    TEUCHOS_ASSERT(ierr > -1);
  }
}
 
//====================================================================
// Basis vector
 
// Constructor
Basis::Basis()
  : uu(0.0),
    zz(0.0),
    duu(0.0),
    eta(0.0),
    wt(0.0),
    dz(0.0),
    uu_dot(0.0),
    duu_dot(0.0)
{
  phi    = new double[2];
  dphide = new double[2];
}
 
// Destructor
Basis::~Basis()
{
  delete[] phi;
  delete[] dphide;
}
 
// Calculates a linear 1D basis
void Basis::computeBasis(int gp, double* z, double* u, double* u_dot)
{
  int N = 2;
  if (gp == 0) {
    eta = -1.0 / sqrt(3.0);
    wt  = 1.0;
  }
  if (gp == 1) {
    eta = 1.0 / sqrt(3.0);
    wt  = 1.0;
  }
 
  // Calculate basis function and derivatives at nodel pts
  phi[0]    = (1.0 - eta) / 2.0;
  phi[1]    = (1.0 + eta) / 2.0;
  dphide[0] = -0.5;
  dphide[1] = 0.5;
 
  // Caculate basis function and derivative at GP.
  dz      = 0.5 * (z[1] - z[0]);
  zz      = 0.0;
  uu      = 0.0;
  duu     = 0.0;
  uu_dot  = 0.0;
  duu_dot = 0.0;
  for (int i = 0; i < N; i++) {
    zz += z[i] * phi[i];
    uu += u[i] * phi[i];
    duu += u[i] * dphide[i];
    if (u_dot) {
      uu_dot += u_dot[i] * phi[i];
      duu_dot += u_dot[i] * dphide[i];
    }
  }
 
  return;
}
 
}  // namespace Tempus_Test
 
#endif