Tempus_StepperNewmarkExplicitAForm_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_StepperNewmarkExplicitAForm_impl_hpp
#define Tempus_StepperNewmarkExplicitAForm_impl_hpp

#include "Thyra_VectorStdOps.hpp"

#include "Tempus_StepperNewmarkExplicitAFormModifierDefault.hpp"

//#define DEBUG_OUTPUT

namespace Tempus {

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::predictVelocity(
    Thyra::VectorBase<Scalar>& vPred, const Thyra::VectorBase<Scalar>& v,
    const Thyra::VectorBase<Scalar>& a, const Scalar dt) const
{
  // vPred = v + dt*(1.0-gamma_)*a
  Thyra::V_StVpStV(Teuchos::ptrFromRef(vPred), 1.0, v, dt * (1.0 - gamma_), a);
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::predictDisplacement(
    Thyra::VectorBase<Scalar>& dPred, const Thyra::VectorBase<Scalar>& d,
    const Thyra::VectorBase<Scalar>& v, const Thyra::VectorBase<Scalar>& a,
    const Scalar dt) const
{
  Teuchos::RCP<const Thyra::VectorBase<Scalar> > tmp =
      Thyra::createMember<Scalar>(dPred.space());
  // dPred = dt*v + dt*dt/2.0*a
  Scalar aConst = dt * dt / 2.0;
  Thyra::V_StVpStV(Teuchos::ptrFromRef(dPred), dt, v, aConst, a);
  // dPred += d;
  Thyra::Vp_V(Teuchos::ptrFromRef(dPred), d, 1.0);
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::correctVelocity(
    Thyra::VectorBase<Scalar>& v, const Thyra::VectorBase<Scalar>& vPred,
    const Thyra::VectorBase<Scalar>& a, const Scalar dt) const
{
  // v = vPred + dt*gamma_*a
  Thyra::V_StVpStV(Teuchos::ptrFromRef(v), 1.0, vPred, dt * gamma_, a);
}

template <class Scalar>
StepperNewmarkExplicitAForm<Scalar>::StepperNewmarkExplicitAForm()
  : gammaDefault_(Scalar(0.5)), gamma_(Scalar(0.5))
{
  this->setStepperName("Newmark Explicit a-Form");
  this->setStepperType("Newmark Explicit a-Form");
  this->setUseFSAL(true);
  this->setICConsistency("Consistent");
  this->setICConsistencyCheck(false);
  this->setAppAction(Teuchos::null);
}

template <class Scalar>
StepperNewmarkExplicitAForm<Scalar>::StepperNewmarkExplicitAForm(
    const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& appModel,
    bool useFSAL, std::string ICConsistency, bool ICConsistencyCheck,
    Scalar gamma,
    const Teuchos::RCP<StepperNewmarkExplicitAFormAppAction<Scalar> >&
        stepperAppAction)
  : gammaDefault_(Scalar(0.5)), gamma_(Scalar(0.5))
{
  this->setStepperName("Newmark Explicit a-Form");
  this->setStepperType("Newmark Explicit a-Form");
  this->setUseFSAL(useFSAL);
  this->setICConsistency(ICConsistency);
  this->setICConsistencyCheck(ICConsistencyCheck);

  this->setAppAction(stepperAppAction);
  setGamma(gamma);

  if (appModel != Teuchos::null) {
    this->setModel(appModel);
    this->initialize();
  }
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::setInitialConditions(
    const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
{
  using Teuchos::RCP;

  int numStates = solutionHistory->getNumStates();

  TEUCHOS_TEST_FOR_EXCEPTION(
      numStates < 1, std::logic_error,
      "Error - setInitialConditions() needs at least one SolutionState\n"
      "        to set the initial condition.  Number of States = "
          << numStates);

  if (numStates > 1) {
    RCP<Teuchos::FancyOStream> out = this->getOStream();
    Teuchos::OSTab ostab(out, 1,
                         "StepperNewmarkExplicitAForm::setInitialConditions()");
    *out << "Warning -- SolutionHistory has more than one state!\n"
         << "Setting the initial conditions on the currentState.\n"
         << std::endl;
  }

  RCP<SolutionState<Scalar> > initialState = solutionHistory->getCurrentState();
  RCP<Thyra::VectorBase<Scalar> > x        = initialState->getX();
  RCP<Thyra::VectorBase<Scalar> > xDot     = initialState->getXDot();

  // If initialState has x and xDot set, treat them as the initial conditions.
  // Otherwise use the x and xDot from getNominalValues() as the ICs.
  TEUCHOS_TEST_FOR_EXCEPTION(
      !((initialState->getX() != Teuchos::null &&
         initialState->getXDot() != Teuchos::null) ||
        (this->inArgs_.get_x() != Teuchos::null &&
         this->inArgs_.get_x_dot() != Teuchos::null)),
      std::logic_error,
      "Error - We need to set the initial conditions for x and xDot from\n"
      "        either initialState or appModel_->getNominalValues::InArgs\n"
      "        (but not from a mixture of the two).\n");

  this->inArgs_ = this->appModel_->getNominalValues();
  using Teuchos::rcp_const_cast;
  // Use the x and xDot from getNominalValues() as the ICs.
  if (initialState->getX() == Teuchos::null ||
      initialState->getXDot() == Teuchos::null) {
    TEUCHOS_TEST_FOR_EXCEPTION((this->inArgs_.get_x() == Teuchos::null) ||
                                   (this->inArgs_.get_x_dot() == Teuchos::null),
                               std::logic_error,
                               "Error - setInitialConditions() needs the ICs "
                               "from the SolutionHistory\n"
                               "        or getNominalValues()!\n");
    x = rcp_const_cast<Thyra::VectorBase<Scalar> >(this->inArgs_.get_x());
    initialState->setX(x);
    xDot =
        rcp_const_cast<Thyra::VectorBase<Scalar> >(this->inArgs_.get_x_dot());
    initialState->setXDot(xDot);
  }
  else {
    this->inArgs_.set_x(x);
    this->inArgs_.set_x_dot(xDot);
  }

  // Check if we need Stepper storage for xDotDot
  if (initialState->getXDotDot() == Teuchos::null)
    initialState->setXDotDot(initialState->getX()->clone_v());
  else
    this->setStepperXDotDot(initialState->getXDotDot());

  // Perform IC Consistency
  std::string icConsistency = this->getICConsistency();
  if (icConsistency == "None") {
    if (initialState->getXDotDot() == Teuchos::null) {
      RCP<Teuchos::FancyOStream> out = this->getOStream();
      Teuchos::OSTab ostab(out, 1,
                           "StepperForwardEuler::setInitialConditions()");
      *out << "Warning -- Requested IC consistency of 'None' but\n"
           << "           initialState does not have an xDotDot.\n"
           << "           Setting a 'Consistent' xDotDot!\n"
           << std::endl;
      auto p = Teuchos::rcp(new ExplicitODEParameters<Scalar>(0.0));
      this->evaluateExplicitODE(initialState->getXDotDot(), x, xDot,
                                initialState->getTime(), p);

      initialState->setIsSynced(true);
    }
  }
  else if (icConsistency == "Zero")
    Thyra::assign(initialState->getXDotDot().ptr(), Scalar(0.0));
  else if (icConsistency == "App") {
    auto xDotDot = Teuchos::rcp_const_cast<Thyra::VectorBase<Scalar> >(
        this->inArgs_.get_x_dot_dot());
    TEUCHOS_TEST_FOR_EXCEPTION(
        xDotDot == Teuchos::null, std::logic_error,
        "Error - setInitialConditions() requested 'App' for IC consistency,\n"
        "        but 'App' returned a null pointer for xDotDot!\n");
    Thyra::assign(initialState->getXDotDot().ptr(), *xDotDot);
  }
  else if (icConsistency == "Consistent") {
    // Evaluate xDotDot = f(x,t).
    auto p = Teuchos::rcp(new ExplicitODEParameters<Scalar>(0.0));
    this->evaluateExplicitODE(initialState->getXDotDot(), x, xDot,
                              initialState->getTime(), p);

    // At this point, x, xDot and xDotDot are sync'ed or consistent
    // at the same time level for the initialState.
    initialState->setIsSynced(true);
  }
  else {
    TEUCHOS_TEST_FOR_EXCEPTION(
        true, std::logic_error,
        "Error - setInitialConditions() invalid IC consistency, "
            << icConsistency << ".\n");
  }

  // Test for consistency.
  if (this->getICConsistencyCheck()) {
    auto xDotDot = initialState->getXDotDot();
    auto f       = initialState->getX()->clone_v();
    auto p       = Teuchos::rcp(new ExplicitODEParameters<Scalar>(0.0));
    this->evaluateExplicitODE(f, x, xDot, initialState->getTime(), p);
    Thyra::Vp_StV(f.ptr(), Scalar(-1.0), *(xDotDot));
    Scalar reldiff     = Thyra::norm(*f);
    Scalar normxDotDot = Thyra::norm(*xDotDot);
    // The following logic is to prevent FPEs
    Scalar eps = Scalar(100.0) * std::abs(Teuchos::ScalarTraits<Scalar>::eps());
    if (normxDotDot > eps * reldiff) reldiff /= normxDotDot;

    RCP<Teuchos::FancyOStream> out = this->getOStream();
    Teuchos::OSTab ostab(out, 1,
                         "StepperNewmarkExplicitAForm::setInitialConditions()");
    if (reldiff > eps) {
      *out << "\n---------------------------------------------------\n"
           << "Info -- Stepper = " << this->getStepperType() << "\n"
           << "  Initial condition PASSED consistency check!\n"
           << "  (||xDotDot-f(x,xDot,t)||/||x|| = " << reldiff << ") > "
           << "(eps = " << eps << ")" << std::endl
           << "---------------------------------------------------\n"
           << std::endl;
    }
    else {
      *out << "\n---------------------------------------------------\n"
           << "Info -- Stepper = " << this->getStepperType() << "\n"
           << "Initial condition FAILED consistency check but continuing!\n"
           << "  (||xDotDot-f(x,xDot,t)||/||x|| = " << reldiff << ") > "
           << "(eps = " << eps << ")" << std::endl
           << "  ||xDotDot-f(x,xDot,t)|| = " << Thyra::norm(*f) << std::endl
           << "  ||x||                   = " << Thyra::norm(*x) << std::endl
           << "---------------------------------------------------\n"
           << std::endl;
    }
  }
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::takeStep(
    const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
{
  this->checkInitialized();

  using Teuchos::RCP;

  TEMPUS_FUNC_TIME_MONITOR("Tempus::StepperNewmarkExplicitAForm::takeStep()");
  {
    TEUCHOS_TEST_FOR_EXCEPTION(
        solutionHistory->getNumStates() < 2, std::logic_error,
        "Error - StepperNewmarkExplicitAForm<Scalar>::takeStep(...)\n"
            << "Need at least two SolutionStates for NewmarkExplicitAForm.\n"
            << "  Number of States = " << solutionHistory->getNumStates()
            << "\nTry setting in \"Solution History\" \"Storage Type\" = "
            << "\"Undo\"\n"
            << "  or \"Storage Type\" = \"Static\" and \"Storage Limit\" = "
            << "\"2\"\n");

    auto thisStepper = Teuchos::rcpFromRef(*this);
    stepperNewmarkExpAppAction_->execute(
        solutionHistory, thisStepper,
        StepperNewmarkExplicitAFormAppAction<
            Scalar>::ACTION_LOCATION::BEGIN_STEP);

    RCP<SolutionState<Scalar> > currentState =
        solutionHistory->getCurrentState();
    RCP<SolutionState<Scalar> > workingState =
        solutionHistory->getWorkingState();

    // Get values of d, v and a from previous step
    RCP<const Thyra::VectorBase<Scalar> > d_old = currentState->getX();
    RCP<const Thyra::VectorBase<Scalar> > v_old = currentState->getXDot();
    RCP<Thyra::VectorBase<Scalar> > a_old       = currentState->getXDotDot();

    // Get dt and time
    const Scalar dt       = workingState->getTimeStep();
    const Scalar time_old = currentState->getTime();

    auto p = Teuchos::rcp(new ExplicitODEParameters<Scalar>(dt));
    if (!(this->getUseFSAL()) || workingState->getNConsecutiveFailures() != 0) {
      // Evaluate xDotDot = f(x, xDot, t).
      this->evaluateExplicitODE(a_old, d_old, v_old, time_old, p);

      // For UseFSAL=false, x and xDot sync'ed or consistent
      // at the same time level for the currentState.
      currentState->setIsSynced(true);
    }

    // New d, v and a to be computed here
    RCP<Thyra::VectorBase<Scalar> > d_new = workingState->getX();
    RCP<Thyra::VectorBase<Scalar> > v_new = workingState->getXDot();
    RCP<Thyra::VectorBase<Scalar> > a_new = workingState->getXDotDot();

    // compute displacement and velocity predictors
    predictDisplacement(*d_new, *d_old, *v_old, *a_old, dt);
    predictVelocity(*v_new, *v_old, *a_old, dt);

    stepperNewmarkExpAppAction_->execute(
        solutionHistory, thisStepper,
        StepperNewmarkExplicitAFormAppAction<
            Scalar>::ACTION_LOCATION::BEFORE_EXPLICIT_EVAL);

    // Evaluate xDotDot = f(x, xDot, t).
    this->evaluateExplicitODE(a_new, d_new, v_new, time_old, p);

    stepperNewmarkExpAppAction_->execute(
        solutionHistory, thisStepper,
        StepperNewmarkExplicitAFormAppAction<
            Scalar>::ACTION_LOCATION::AFTER_EXPLICIT_EVAL);

    // Set xDot in workingState to velocity corrector
    correctVelocity(*v_new, *v_new, *a_new, dt);

    if (this->getUseFSAL()) {
      // Evaluate xDotDot = f(x, xDot, t).
      const Scalar time_new = workingState->getTime();
      this->evaluateExplicitODE(a_new, d_new, v_new, time_new, p);

      // For UseFSAL=true, x, xDot and xDotxDot are now sync'ed or consistent
      // for the workingState.
      workingState->setIsSynced(true);
    }
    else {
      assign(a_new.ptr(), Teuchos::ScalarTraits<Scalar>::zero());
      workingState->setIsSynced(false);
    }

    workingState->setSolutionStatus(Status::PASSED);
    workingState->setOrder(this->getOrder());
    workingState->computeNorms(currentState);

    stepperNewmarkExpAppAction_->execute(
        solutionHistory, thisStepper,
        StepperNewmarkExplicitAFormAppAction<
            Scalar>::ACTION_LOCATION::END_STEP);
  }
  return;
}

template <class Scalar>
Teuchos::RCP<Tempus::StepperState<Scalar> >
StepperNewmarkExplicitAForm<Scalar>::getDefaultStepperState()
{
  Teuchos::RCP<Tempus::StepperState<Scalar> > stepperState =
      rcp(new StepperState<Scalar>(this->getStepperType()));
  return stepperState;
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::describe(
    Teuchos::FancyOStream& out, const Teuchos::EVerbosityLevel verbLevel) const
{
  out.setOutputToRootOnly(0);
  out << std::endl;
  Stepper<Scalar>::describe(out, verbLevel);
  StepperExplicit<Scalar>::describe(out, verbLevel);

  out << "--- StepperNewmarkExplicitAForm ---\n";
  out << "  gamma_ = " << gamma_ << std::endl;
  out << "-----------------------------------" << std::endl;
}

template <class Scalar>
bool StepperNewmarkExplicitAForm<Scalar>::isValidSetup(
    Teuchos::FancyOStream& out) const
{
  out.setOutputToRootOnly(0);
  bool isValidSetup = true;

  if (!Stepper<Scalar>::isValidSetup(out)) isValidSetup = false;
  if (!StepperExplicit<Scalar>::isValidSetup(out)) isValidSetup = false;

  return isValidSetup;
}

template <class Scalar>
Teuchos::RCP<const Teuchos::ParameterList>
StepperNewmarkExplicitAForm<Scalar>::getValidParameters() const
{
  auto pl = this->getValidParametersBasic();
  pl->sublist("Newmark Explicit Parameters", false, "");
  pl->sublist("Newmark Explicit Parameters", false, "")
      .set("Gamma", gamma_, "Newmark Explicit parameter");
  return pl;
}

template <class Scalar>
void StepperNewmarkExplicitAForm<Scalar>::setAppAction(
    Teuchos::RCP<StepperNewmarkExplicitAFormAppAction<Scalar> > appAction)
{
  if (appAction == Teuchos::null) {
    // Create default appAction
    stepperNewmarkExpAppAction_ =
        Teuchos::rcp(new StepperNewmarkExplicitAFormModifierDefault<Scalar>());
  }
  else {
    stepperNewmarkExpAppAction_ = appAction;
  }

  this->isInitialized_ = false;
}

// Nonmember constructor - ModelEvaluator and ParameterList
// ------------------------------------------------------------------------
template <class Scalar>
Teuchos::RCP<StepperNewmarkExplicitAForm<Scalar> >
createStepperNewmarkExplicitAForm(
    const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& model,
    Teuchos::RCP<Teuchos::ParameterList> pl)
{
  auto stepper = Teuchos::rcp(new StepperNewmarkExplicitAForm<Scalar>());
  stepper->setStepperExplicitValues(pl);

  if (pl != Teuchos::null) {
    Scalar gamma = pl->sublist("Newmark Explicit Parameters")
                       .template get<double>("Gamma", 0.5);
    stepper->setGamma(gamma);
  }

  if (model != Teuchos::null) {
    stepper->setModel(model);
    stepper->initialize();
  }

  return stepper;
}

}  // namespace Tempus
#endif  // Tempus_StepperNewmarkExplicitAForm_impl_hpp