Tempus_StepperBDF2_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 Tempus_StepperBDF2_impl_hpp
#define Tempus_StepperBDF2_impl_hpp
 
#include "Tempus_WrapperModelEvaluatorBasic.hpp"
#include "Tempus_StepperBDF2ModifierDefault.hpp"
#include "Tempus_StepperFactory.hpp"
 
namespace Tempus {
 
template <class Scalar>
StepperBDF2<Scalar>::StepperBDF2()
{
  this->setStepperName("BDF2");
  this->setStepperType("BDF2");
  this->setUseFSAL(false);
  this->setICConsistency("None");
  this->setICConsistencyCheck(false);
  this->setZeroInitialGuess(false);
 
  this->setAppAction(Teuchos::null);
  this->setDefaultSolver();
  this->setStartUpStepper("DIRK 1 Stage Theta Method");
}
 
template <class Scalar>
StepperBDF2<Scalar>::StepperBDF2(
    const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& appModel,
    const Teuchos::RCP<Thyra::NonlinearSolverBase<Scalar> >& solver,
    const Teuchos::RCP<Stepper<Scalar> >& startUpStepper, bool useFSAL,
    std::string ICConsistency, bool ICConsistencyCheck, bool zeroInitialGuess,
    const Teuchos::RCP<StepperBDF2AppAction<Scalar> >& stepperBDF2AppAction)
{
  this->setStepperName("BDF2");
  this->setStepperType("BDF2");
  this->setUseFSAL(useFSAL);
  this->setICConsistency(ICConsistency);
  this->setICConsistencyCheck(ICConsistencyCheck);
  this->setZeroInitialGuess(zeroInitialGuess);
 
  this->setAppAction(stepperBDF2AppAction);
  this->setSolver(solver);
  this->setStartUpStepper(startUpStepper);
 
  if (appModel != Teuchos::null) {
    this->setModel(appModel);
    this->initialize();
  }
}
 
template <class Scalar>
void StepperBDF2<Scalar>::setModel(
    const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& appModel)
{
  StepperImplicit<Scalar>::setModel(appModel);
  // If the startUpStepper's model is not set, set it to the stepper model.
  if (startUpStepper_->getModel() == Teuchos::null) {
    startUpStepper_->setModel(appModel);
    startUpStepper_->initialize();
  }
 
  this->isInitialized_ = false;
}
 
template <class Scalar>
void StepperBDF2<Scalar>::setStartUpStepper(std::string startupStepperType)
{
  auto sf = Teuchos::rcp(new StepperFactory<Scalar>());
  if (this->wrapperModel_ != Teuchos::null &&
      this->wrapperModel_->getAppModel() != Teuchos::null) {
    startUpStepper_ = sf->createStepper(startupStepperType,
                                        this->wrapperModel_->getAppModel());
  }
  else {
    startUpStepper_ = sf->createStepper(startupStepperType);
  }
 
  this->isInitialized_ = false;
}
 
template <class Scalar>
void StepperBDF2<Scalar>::setStartUpStepper(
    Teuchos::RCP<Stepper<Scalar> > startUpStepper)
{
  startUpStepper_ = startUpStepper;
 
  if (this->wrapperModel_ != Teuchos::null) {
    TEUCHOS_TEST_FOR_EXCEPTION(
        this->wrapperModel_->getAppModel() == Teuchos::null, std::logic_error,
        "Error - Can not set the startUpStepper to Teuchos::null.\n");
 
    if (startUpStepper->getModel() == Teuchos::null &&
        this->wrapperModel_->getAppModel() != Teuchos::null) {
      startUpStepper_->setModel(this->wrapperModel_->getAppModel());
      startUpStepper_->initialize();
    }
  }
 
  this->isInitialized_ = false;
}
 
template <class Scalar>
void StepperBDF2<Scalar>::setAppAction(
    Teuchos::RCP<StepperBDF2AppAction<Scalar> > appAction)
{
  if (appAction == Teuchos::null) {
    // Create default appAction
    stepperBDF2AppAction_ =
        Teuchos::rcp(new StepperBDF2ModifierDefault<Scalar>());
  }
  else {
    stepperBDF2AppAction_ = appAction;
  }
}
 
template <class Scalar>
void StepperBDF2<Scalar>::initialize()
{
  StepperImplicit<Scalar>::initialize();
}
 
template <class Scalar>
void StepperBDF2<Scalar>::setInitialConditions(
    const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
{
  using Teuchos::RCP;
 
  RCP<SolutionState<Scalar> > initialState = solutionHistory->getCurrentState();
 
  // Check if we need Stepper storage for xDot
  if (initialState->getXDot() == Teuchos::null)
    this->setStepperXDot(initialState->getX()->clone_v());
  else
    this->setStepperXDot(initialState->getXDot());
 
  StepperImplicit<Scalar>::setInitialConditions(solutionHistory);
}
 
template <class Scalar>
void StepperBDF2<Scalar>::takeStep(
    const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
{
  this->checkInitialized();
 
  using Teuchos::RCP;
 
  TEMPUS_FUNC_TIME_MONITOR("Tempus::StepperBDF2::takeStep()");
  {
    int numStates = solutionHistory->getNumStates();
 
    RCP<Thyra::VectorBase<Scalar> > xOld;
    RCP<Thyra::VectorBase<Scalar> > xOldOld;
 
    // If there are less than 3 states (e.g., first time step), call
    // startup stepper and return.
    if (numStates < 3) {
      computeStartUp(solutionHistory);
      return;
    }
    TEUCHOS_TEST_FOR_EXCEPTION(
        (numStates < 3), std::logic_error,
        "Error in Tempus::StepperBDF2::takeStep(): numStates after \n"
            << "startup stepper must be at least 3, whereas numStates = "
            << numStates << "!\n"
            << "If running with Storage Type = Static, "
            << "make sure Storage Limit > 2.\n");
 
    // IKT, FIXME: add error checking regarding states being consecutive and
    // whether interpolated states are OK to use.
 
    RCP<StepperBDF2<Scalar> > thisStepper = Teuchos::rcpFromRef(*this);
    stepperBDF2AppAction_->execute(
        solutionHistory, thisStepper,
        StepperBDF2AppAction<Scalar>::ACTION_LOCATION::BEGIN_STEP);
 
    RCP<SolutionState<Scalar> > workingState =
        solutionHistory->getWorkingState();
    RCP<SolutionState<Scalar> > currentState =
        solutionHistory->getCurrentState();
 
    RCP<Thyra::VectorBase<Scalar> > x = workingState->getX();
    if (workingState->getXDot() != Teuchos::null)
      this->setStepperXDot(workingState->getXDot());
    RCP<Thyra::VectorBase<Scalar> > xDot = this->getStepperXDot();
 
    // get time, dt and dtOld
    const Scalar time  = workingState->getTime();
    const Scalar dt    = workingState->getTimeStep();
    const Scalar dtOld = currentState->getTimeStep();
 
    xOld    = solutionHistory->getStateTimeIndexNM1()->getX();
    xOldOld = solutionHistory->getStateTimeIndexNM2()->getX();
    order_  = Scalar(2.0);
 
    // Setup TimeDerivative
    Teuchos::RCP<TimeDerivative<Scalar> > timeDer = Teuchos::rcp(
        new StepperBDF2TimeDerivative<Scalar>(dt, dtOld, xOld, xOldOld));
 
    const Scalar alpha = getAlpha(dt, dtOld);
    const Scalar beta  = getBeta(dt);
 
    auto p = Teuchos::rcp(
        new ImplicitODEParameters<Scalar>(timeDer, dt, alpha, beta));
    stepperBDF2AppAction_->execute(
        solutionHistory, thisStepper,
        StepperBDF2AppAction<Scalar>::ACTION_LOCATION::BEFORE_SOLVE);
 
    const Thyra::SolveStatus<Scalar> sStatus =
        this->solveImplicitODE(x, xDot, time, p);
 
    stepperBDF2AppAction_->execute(
        solutionHistory, thisStepper,
        StepperBDF2AppAction<Scalar>::ACTION_LOCATION::AFTER_SOLVE);
 
    if (workingState->getXDot() != Teuchos::null) timeDer->compute(x, xDot);
 
    workingState->setSolutionStatus(sStatus);  // Converged --> pass.
    workingState->setOrder(getOrder());
    workingState->computeNorms(currentState);
    stepperBDF2AppAction_->execute(
        solutionHistory, thisStepper,
        StepperBDF2AppAction<Scalar>::ACTION_LOCATION::END_STEP);
  }
  return;
}
 
template <class Scalar>
void StepperBDF2<Scalar>::computeStartUp(
    const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
{
  auto out = Teuchos::fancyOStream(this->getOStream());
  out->setOutputToRootOnly(0);
  Teuchos::OSTab ostab(out, 1, "StepperBDF2::computeStartUp()");
  *out << "Warning -- Taking a startup step for BDF2 using '"
       << startUpStepper_->getStepperType() << "'!" << std::endl;
 
  // Take one step using startUpStepper_
  startUpStepper_->takeStep(solutionHistory);
 
  order_ = startUpStepper_->getOrder();
}
 
template <class Scalar>
Teuchos::RCP<Tempus::StepperState<Scalar> >
StepperBDF2<Scalar>::getDefaultStepperState()
{
  Teuchos::RCP<Tempus::StepperState<Scalar> > stepperState =
      rcp(new StepperState<Scalar>(this->getStepperType()));
  return stepperState;
}
 
template <class Scalar>
void StepperBDF2<Scalar>::describe(
    Teuchos::FancyOStream& out, const Teuchos::EVerbosityLevel verbLevel) const
{
  auto l_out = Teuchos::fancyOStream(out.getOStream());
  Teuchos::OSTab ostab(*l_out, 2, this->description());
  l_out->setOutputToRootOnly(0);
  *l_out << std::endl;
  Stepper<Scalar>::describe(out, verbLevel);
  StepperImplicit<Scalar>::describe(out, verbLevel);
 
  *l_out << "--- StepperBDF2 ---\n";
  if (startUpStepper_ != Teuchos::null) {
    *l_out << "  startup stepper type             = "
           << startUpStepper_->description() << std::endl;
  }
  *l_out << "  startUpStepper_                  = " << startUpStepper_
         << std::endl;
  *l_out << "  startUpStepper_->isInitialized() = "
         << Teuchos::toString(startUpStepper_->isInitialized()) << std::endl;
  *l_out << "  stepperBDF2AppAction_            = " << stepperBDF2AppAction_
         << std::endl;
  *l_out << "----------------------------" << std::endl;
  *l_out << "  order_                           = " << order_ << std::endl;
  *l_out << "-------------------" << std::endl;
}
 
template <class Scalar>
bool StepperBDF2<Scalar>::isValidSetup(Teuchos::FancyOStream& out) const
{
  bool isValidSetup = true;
  auto l_out        = Teuchos::fancyOStream(out.getOStream());
  l_out->setOutputToRootOnly(0);
 
  if (!Stepper<Scalar>::isValidSetup(out)) isValidSetup = false;
  if (!StepperImplicit<Scalar>::isValidSetup(out)) isValidSetup = false;
 
  if (!this->startUpStepper_->isInitialized()) {
    isValidSetup = false;
    *l_out << "The startup stepper is not initialized!\n";
  }
  if (stepperBDF2AppAction_ == Teuchos::null) {
    isValidSetup = false;
    *l_out << "The BDF2 AppAction is not set!\n";
  }
  return isValidSetup;
}
 
template <class Scalar>
Teuchos::RCP<const Teuchos::ParameterList>
StepperBDF2<Scalar>::getValidParameters() const
{
  auto pl = this->getValidParametersBasicImplicit();
  pl->set("Start Up Stepper Type", startUpStepper_->getStepperType());
  return pl;
}
 
// Nonmember constructor - ModelEvaluator and ParameterList
// ------------------------------------------------------------------------
template <class Scalar>
Teuchos::RCP<StepperBDF2<Scalar> > createStepperBDF2(
    const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& model,
    Teuchos::RCP<Teuchos::ParameterList> pl)
{
  auto stepper = Teuchos::rcp(new StepperBDF2<Scalar>());
  stepper->setStepperImplicitValues(pl);
 
  std::string startUpStepperName = "DIRK 1 Stage Theta Method";
  if (pl != Teuchos::null)
    startUpStepperName =
        pl->get<std::string>("Start Up Stepper Type", startUpStepperName);
  stepper->setStartUpStepper(startUpStepperName);
 
  if (model != Teuchos::null) {
    stepper->setModel(model);
    stepper->initialize();
  }
 
  return stepper;
}
 
}  // namespace Tempus
#endif  // Tempus_StepperBDF2_impl_hpp