ida.h

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//-----------------------------------------------------------
//
//    Copyright (C) 2017 - 2020 by the deal.II authors
//
//    This file is part of the deal.II library.
//
//    The deal.II library is free software; you can use it, redistribute
//    it, and/or modify it under the terms of the GNU Lesser General
//    Public License as published by the Free Software Foundation; either
//    version 2.1 of the License, or (at your option) any later version.
//    The full text of the license can be found in the file LICENSE.md at
//    the top level directory of deal.II.
//
//---------------------------------------------------------------
 
#ifndef dealii_sundials_ida_h
#define dealii_sundials_ida_h
 
#include <deal.II/base/config.h>
 
#include <deal.II/base/mpi.h>
#ifdef DEAL_II_WITH_SUNDIALS
#  if DEAL_II_SUNDIALS_VERSION_LT(4, 0, 0)
 
#    include <deal.II/base/conditional_ostream.h>
#    include <deal.II/base/exceptions.h>
#    include <deal.II/base/logstream.h>
#    include <deal.II/base/parameter_handler.h>
#    ifdef DEAL_II_WITH_PETSC
#      include <deal.II/lac/petsc_block_vector.h>
#      include <deal.II/lac/petsc_vector.h>
#    endif
#    include <deal.II/lac/vector.h>
#    include <deal.II/lac/vector_memory.h>
 
#    ifdef DEAL_II_SUNDIALS_WITH_IDAS
#      include <idas/idas.h>
#    else
#      include <ida/ida.h>
#    endif
 
#    include <sundials/sundials_config.h>
#    if DEAL_II_SUNDIALS_VERSION_LT(3, 0, 0)
#      include <ida/ida_spbcgs.h>
#      include <ida/ida_spgmr.h>
#      include <ida/ida_sptfqmr.h>
#    endif
#    include <boost/signals2.hpp>
 
#    include <nvector/nvector_serial.h>
#    include <sundials/sundials_math.h>
#    include <sundials/sundials_types.h>
 
#    include <memory>
 
 
DEAL_II_NAMESPACE_OPEN
 
// Shorthand notation for IDA error codes.
#    define AssertIDA(code) Assert(code >= 0, ExcIDAError(code))
 
namespace SUNDIALS
{
  template <typename VectorType = Vector<double>>
  class IDA
  {
  public:
    class AdditionalData
    {
    public:
      enum InitialConditionCorrection
      {
        none = 0,
 
        use_y_diff = 1,
 
        use_y_dot = 2
      };
 
      AdditionalData( // Initial parameters
        const double initial_time      = 0.0,
        const double final_time        = 1.0,
        const double initial_step_size = 1e-2,
        const double output_period     = 1e-1,
        // Running parameters
        const double       minimum_step_size             = 1e-6,
        const unsigned int maximum_order                 = 5,
        const unsigned int maximum_non_linear_iterations = 10,
        // Error parameters
        const double absolute_tolerance                = 1e-6,
        const double relative_tolerance                = 1e-5,
        const bool   ignore_algebraic_terms_for_errors = true,
        // Initial conditions parameters
        const InitialConditionCorrection &ic_type    = use_y_diff,
        const InitialConditionCorrection &reset_type = use_y_diff,
        const unsigned int                maximum_non_linear_iterations_ic = 5)
        : initial_time(initial_time)
        , final_time(final_time)
        , initial_step_size(initial_step_size)
        , minimum_step_size(minimum_step_size)
        , absolute_tolerance(absolute_tolerance)
        , relative_tolerance(relative_tolerance)
        , maximum_order(maximum_order)
        , output_period(output_period)
        , ignore_algebraic_terms_for_errors(ignore_algebraic_terms_for_errors)
        , ic_type(ic_type)
        , reset_type(reset_type)
        , maximum_non_linear_iterations_ic(maximum_non_linear_iterations_ic)
        , maximum_non_linear_iterations(maximum_non_linear_iterations)
      {}
 
      void
      add_parameters(ParameterHandler &prm)
      {
        prm.add_parameter("Initial time", initial_time);
        prm.add_parameter("Final time", final_time);
        prm.add_parameter("Time interval between each output", output_period);
 
        prm.enter_subsection("Running parameters");
        prm.add_parameter("Initial step size", initial_step_size);
        prm.add_parameter("Minimum step size", minimum_step_size);
        prm.add_parameter("Maximum order of BDF", maximum_order);
        prm.add_parameter("Maximum number of nonlinear iterations",
                          maximum_non_linear_iterations);
        prm.leave_subsection();
 
        prm.enter_subsection("Error control");
        prm.add_parameter("Absolute error tolerance", absolute_tolerance);
        prm.add_parameter("Relative error tolerance", relative_tolerance);
        prm.add_parameter(
          "Ignore algebraic terms for error computations",
          ignore_algebraic_terms_for_errors,
          "Indicate whether or not to suppress algebraic variables "
          "in the local error test.");
        prm.leave_subsection();
 
        prm.enter_subsection("Initial condition correction parameters");
        static std::string ic_type_str = "use_y_diff";
        prm.add_parameter(
          "Correction type at initial time",
          ic_type_str,
          "This is one of the following three options for the "
          "initial condition calculation. \n"
          " none: do not try to make initial conditions consistent. \n"
          " use_y_diff: compute the algebraic components of y and differential\n"
          "    components of y_dot, given the differential components of y. \n"
          "    This option requires that the user specifies differential and \n"
          "    algebraic components in the function get_differential_components.\n"
          " use_y_dot: compute all components of y, given y_dot.",
          Patterns::Selection("none|use_y_diff|use_y_dot"));
        prm.add_action("Correction type at initial time",
                       [&](const std::string &value) {
                         if (value == "use_y_diff")
                           ic_type = use_y_diff;
                         else if (value == "use_y_dot")
                           ic_type = use_y_dot;
                         else if (value == "none")
                           ic_type = none;
                         else
                           AssertThrow(false, ExcInternalError());
                       });
 
        static std::string reset_type_str = "use_y_diff";
        prm.add_parameter(
          "Correction type after restart",
          reset_type_str,
          "This is one of the following three options for the "
          "initial condition calculation. \n"
          " none: do not try to make initial conditions consistent. \n"
          " use_y_diff: compute the algebraic components of y and differential\n"
          "    components of y_dot, given the differential components of y. \n"
          "    This option requires that the user specifies differential and \n"
          "    algebraic components in the function get_differential_components.\n"
          " use_y_dot: compute all components of y, given y_dot.",
          Patterns::Selection("none|use_y_diff|use_y_dot"));
        prm.add_action("Correction type after restart",
                       [&](const std::string &value) {
                         if (value == "use_y_diff")
                           reset_type = use_y_diff;
                         else if (value == "use_y_dot")
                           reset_type = use_y_dot;
                         else if (value == "none")
                           reset_type = none;
                         else
                           AssertThrow(false, ExcInternalError());
                       });
        prm.add_parameter("Maximum number of nonlinear iterations",
                          maximum_non_linear_iterations_ic);
        prm.leave_subsection();
      }
 
      double initial_time;
 
      double final_time;
 
      double initial_step_size;
 
      double minimum_step_size;
 
      double absolute_tolerance;
 
      double relative_tolerance;
 
      unsigned int maximum_order;
 
      double output_period;
 
      bool ignore_algebraic_terms_for_errors;
 
      InitialConditionCorrection ic_type;
 
      InitialConditionCorrection reset_type;
 
      unsigned maximum_non_linear_iterations_ic;
 
      unsigned int maximum_non_linear_iterations;
    };
 
    IDA(const AdditionalData &data     = AdditionalData(),
        const MPI_Comm &      mpi_comm = MPI_COMM_WORLD);
 
    ~IDA();
 
    unsigned int
    solve_dae(VectorType &solution, VectorType &solution_dot);
 
    void
    reset(const double t, const double h, VectorType &y, VectorType &yp);
 
    std::function<void(VectorType &)> reinit_vector;
 
    std::function<int(const double      t,
                      const VectorType &y,
                      const VectorType &y_dot,
                      VectorType &      res)>
      residual;
 
    std::function<int(const double      t,
                      const VectorType &y,
                      const VectorType &y_dot,
                      const double      alpha)>
      setup_jacobian;
 
    std::function<int(const VectorType &rhs, VectorType &dst)>
      solve_jacobian_system;
 
    std::function<void(const double       t,
                       const VectorType & sol,
                       const VectorType & sol_dot,
                       const unsigned int step_number)>
      output_step;
 
    std::function<bool(const double t, VectorType &sol, VectorType &sol_dot)>
      solver_should_restart;
 
    std::function<IndexSet()> differential_components;
 
    std::function<VectorType &()> get_local_tolerances;
 
    DeclException1(ExcIDAError,
                   int,
                   << "One of the SUNDIALS IDA internal functions "
                   << " returned a negative error code: " << arg1
                   << ". Please consult SUNDIALS manual.");
 
 
  private:
    DeclException1(ExcFunctionNotProvided,
                   std::string,
                   << "Please provide an implementation for the function \""
                   << arg1 << "\"");
 
    void
    set_functions_to_trigger_an_assert();
 
    AdditionalData data;
 
    void *ida_mem;
 
    N_Vector yy;
 
    N_Vector yp;
 
    N_Vector abs_tolls;
 
    N_Vector diff_id;
 
    MPI_Comm communicator;
 
    GrowingVectorMemory<VectorType> mem;
 
#    ifdef DEAL_II_WITH_PETSC
#      ifdef PETSC_USE_COMPLEX
    static_assert(!std::is_same<VectorType, PETScWrappers::MPI::Vector>::value,
                  "Sundials does not support complex scalar types, "
                  "but PETSc is configured to use a complex scalar type!");
 
    static_assert(
      !std::is_same<VectorType, PETScWrappers::MPI::BlockVector>::value,
      "Sundials does not support complex scalar types, "
      "but PETSc is configured to use a complex scalar type!");
#      endif // PETSC_USE_COMPLEX
#    endif   // DEAL_II_WITH_PETSC
  };
 
} // namespace SUNDIALS
 
DEAL_II_NAMESPACE_CLOSE
 
#  endif
#endif // DEAL_II_WITH_SUNDIALS
 
#endif