Tempus_StepperNewmarkExplicitAForm_impl.hpp

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// @HEADER
// ****************************************************************************
//                Tempus: Copyright (2017) Sandia Corporation
//
// Distributed under BSD 3-clause license (See accompanying file Copyright.txt)
// ****************************************************************************
// @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() << "\n"
      "Try 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 << 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
{
  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