Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Tempus: Adjustments to the AppAction Interface #7559

Merged
merged 1 commit into from
Jun 30, 2020
Merged

Tempus: Adjustments to the AppAction Interface #7559

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
33 changes: 33 additions & 0 deletions packages/tempus/src/Tempus_RKButcherTableau.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -171,6 +171,39 @@ class RKButcherTableau :
}
//@}

bool operator == (const RKButcherTableau & t) const {
const Scalar relTol = 1.0e-15;
if ( A_->numRows() != t.A_->numRows() ||
A_->numCols() != t.A_->numCols() ) {
return false;
} else {
int i, j;
for(i = 0; i < A_->numRows(); i++) {
for(j = 0; j < A_->numCols(); j++) {
if(std::abs((t.A_(i,j) - A_(i,j))/A_(i,j)) > relTol) return false;
}
}
}

if ( b_->length() != t.b_->length() ||
b_->length() != t.c_->length() ||
b_->length() != t.bstar_->length() ) {
return false;
} else {
int i;
for(i = 0; i < A_->numRows(); i++) {
if(std::abs((t.b_(i) - b_(i))/b_(i)) > relTol) return false;
if(std::abs((t.c_(i) - c_(i))/c_(i)) > relTol) return false;
if(std::abs((t.bstar_(i) - bstar_(i))/bstar_(i)) > relTol) return false;
}
}
return true;
}

bool operator != (const RKButcherTableau & t) const {
return !((*this) == t);
}

private:

RKButcherTableau();
Expand Down
15 changes: 3 additions & 12 deletions packages/tempus/src/Tempus_StepperDIRK_decl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -11,7 +11,6 @@

#include "Tempus_config.hpp"
#include "Tempus_StepperRKBase.hpp"
#include "Tempus_RKButcherTableau.hpp"
#include "Tempus_StepperImplicit.hpp"
#include "Tempus_WrapperModelEvaluator.hpp"
#ifndef TEMPUS_HIDE_DEPRECATED_CODE
Expand Down Expand Up @@ -165,9 +164,6 @@ class StepperDIRK : virtual public Tempus::StepperImplicit<Scalar>,
virtual Teuchos::RCP<StepperObserver<Scalar> > getObserver() const
{ return this->stepperObserver_; }
#endif
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getTableau()
{ return tableau_; }

/// Initialize after construction and changing input parameters.
virtual void initialize();

Expand All @@ -187,14 +183,11 @@ class StepperDIRK : virtual public Tempus::StepperImplicit<Scalar>,

/// Get a default (initial) StepperState
virtual Teuchos::RCP<Tempus::StepperState<Scalar> >getDefaultStepperState();
virtual Scalar getOrder() const{return tableau_->order();}
virtual Scalar getOrderMin() const{return tableau_->orderMin();}
virtual Scalar getOrderMax() const{return tableau_->orderMax();}

virtual bool isExplicit() const
{
const int numStages = tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = tableau_->A();
const int numStages = this->tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = this->tableau_->A();
bool isExplicit = false;
for (int i=0; i<numStages; ++i) if (A(i,i) == 0.0) isExplicit = true;
return isExplicit;
Expand All @@ -219,7 +212,7 @@ class StepperDIRK : virtual public Tempus::StepperImplicit<Scalar>,
/// Return alpha = d(xDot)/dx.
virtual Scalar getAlpha(const Scalar dt) const
{
const Teuchos::SerialDenseMatrix<int,Scalar> & A=tableau_->A();
const Teuchos::SerialDenseMatrix<int,Scalar> & A=this->tableau_->A();
return Scalar(1.0)/(dt*A(0,0)); // Getting the first diagonal coeff!
}
/// Return beta = d(x)/dx.
Expand Down Expand Up @@ -273,8 +266,6 @@ class StepperDIRK : virtual public Tempus::StepperImplicit<Scalar>,

virtual void setupTableau() = 0;

Teuchos::RCP<RKButcherTableau<Scalar> > tableau_;

std::vector<Teuchos::RCP<Thyra::VectorBase<Scalar> > > stageXDot_;
Teuchos::RCP<Thyra::VectorBase<Scalar> > xTilde_;

Expand Down
26 changes: 13 additions & 13 deletions packages/tempus/src/Tempus_StepperDIRK_impl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -160,7 +160,7 @@ template<class Scalar>
void StepperDIRK<Scalar>::initialize()
{
// Initialize the stage vectors
const int numStages = tableau_->numStages();
const int numStages = this->tableau_->numStages();
this->stageX_ = this->wrapperModel_->getNominalValues().get_x()->clone_v();
stageXDot_.resize(numStages);
for (int i=0; i<numStages; ++i) {
Expand All @@ -170,7 +170,7 @@ void StepperDIRK<Scalar>::initialize()
xTilde_ = Thyra::createMember(this->wrapperModel_->get_x_space());
assign(xTilde_.ptr(), Teuchos::ScalarTraits<Scalar>::zero());

if (tableau_->isEmbedded() and this->getUseEmbedded()) {
if (this->tableau_->isEmbedded() and this->getUseEmbedded()) {
ee_ = Thyra::createMember(this->wrapperModel_->get_f_space());
abs_u0 = Thyra::createMember(this->wrapperModel_->get_f_space());
abs_u = Thyra::createMember(this->wrapperModel_->get_f_space());
Expand Down Expand Up @@ -227,10 +227,10 @@ void StepperDIRK<Scalar>::takeStep(
const Scalar dt = workingState->getTimeStep();
const Scalar time = currentState->getTime();

const int numStages = tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = tableau_->A();
Teuchos::SerialDenseVector<int,Scalar> b = tableau_->b();
Teuchos::SerialDenseVector<int,Scalar> c = tableau_->c();
const int numStages = this->tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = this->tableau_->A();
Teuchos::SerialDenseVector<int,Scalar> b = this->tableau_->b();
Teuchos::SerialDenseVector<int,Scalar> c = this->tableau_->c();

// Reset non-zero initial guess.
if ( this->getResetInitialGuess() && (!this->getZeroInitialGuess()) )
Expand All @@ -253,8 +253,8 @@ void StepperDIRK<Scalar>::takeStep(
bool isNeeded = false;
for (int k=i+1; k<numStages; ++k) if (A(k,i) != 0.0) isNeeded = true;
if (b(i) != 0.0) isNeeded = true;
if (tableau_->isEmbedded() && this->getUseEmbedded() &&
tableau_->bstar()(i) != 0.0)
if (this->tableau_->isEmbedded() && this->getUseEmbedded() &&
this->tableau_->bstar()(i) != 0.0)
isNeeded = true;
if (isNeeded == false) {
assign(stageXDot_[i].ptr(), Teuchos::ScalarTraits<Scalar>::zero());
Expand Down Expand Up @@ -344,14 +344,14 @@ void StepperDIRK<Scalar>::takeStep(
}
}

if (tableau_->isEmbedded() and this->getUseEmbedded()) {
if (this->tableau_->isEmbedded() and this->getUseEmbedded()) {
const Scalar tolRel = workingState->getTolRel();
const Scalar tolAbs = workingState->getTolAbs();

// just compute the error weight vector
// (all that is needed is the error, and not the embedded solution)
Teuchos::SerialDenseVector<int,Scalar> errWght = b ;
errWght -= tableau_->bstar();
errWght -= this->tableau_->bstar();

// compute local truncation error estimate: | u^{n+1} - \hat{u}^{n+1} |
// Sum for solution: ee_n = Sum{ (b(i) - bstar(i)) * dt*f(i) }
Expand Down Expand Up @@ -422,8 +422,8 @@ void StepperDIRK<Scalar>::describe(
StepperImplicit<Scalar>::describe(out, verbLevel);

out << "--- StepperDIRK ---\n";
out << " tableau_ = " << tableau_ << std::endl;
if (tableau_ != Teuchos::null) tableau_->describe(out, verbLevel);
out << " tableau_ = " << this->tableau_ << std::endl;
if (this->tableau_ != Teuchos::null) this->tableau_->describe(out, verbLevel);
#ifndef TEMPUS_HIDE_DEPRECATED_CODE
out << " stepperObserver_ = " << stepperObserver_ << std::endl;
#endif
Expand Down Expand Up @@ -452,7 +452,7 @@ bool StepperDIRK<Scalar>::isValidSetup(Teuchos::FancyOStream & out) const
if ( !Stepper<Scalar>::isValidSetup(out) ) isValidSetup = false;
if ( !StepperImplicit<Scalar>::isValidSetup(out) ) isValidSetup = false;

if (tableau_ == Teuchos::null) {
if (this->tableau_ == Teuchos::null) {
isValidSetup = false;
out << "The tableau is not set!\n";
}
Expand Down
9 changes: 0 additions & 9 deletions packages/tempus/src/Tempus_StepperExplicitRK_decl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -12,7 +12,6 @@
#include "Tempus_config.hpp"
#include "Tempus_StepperRKBase.hpp"
#include "Tempus_StepperExplicit.hpp"
#include "Tempus_RKButcherTableau.hpp"
#ifndef TEMPUS_HIDE_DEPRECATED_CODE
#include "Tempus_StepperRKObserverComposite.hpp"
#endif
Expand Down Expand Up @@ -111,9 +110,6 @@ class StepperExplicitRK : virtual public Tempus::StepperExplicit<Scalar>,
virtual Teuchos::RCP<StepperObserver<Scalar> > getObserver() const
{ return this->stepperObserver_; }
#endif
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getTableau()
{ return tableau_; }

/// Initialize during construction and after changing input parameters.
virtual void initialize();

Expand All @@ -127,9 +123,6 @@ class StepperExplicitRK : virtual public Tempus::StepperExplicit<Scalar>,

/// Get a default (initial) StepperState
virtual Teuchos::RCP<Tempus::StepperState<Scalar> > getDefaultStepperState();
virtual Scalar getOrder() const {return tableau_->order();}
virtual Scalar getOrderMin() const {return tableau_->orderMin();}
virtual Scalar getOrderMax() const {return tableau_->orderMax();}
virtual Scalar getInitTimeStep(
const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory) const;

Expand Down Expand Up @@ -191,8 +184,6 @@ class StepperExplicitRK : virtual public Tempus::StepperExplicit<Scalar>,
virtual void setupTableau() = 0;


Teuchos::RCP<RKButcherTableau<Scalar> > tableau_;

std::vector<Teuchos::RCP<Thyra::VectorBase<Scalar> > > stageXDot_;

#ifndef TEMPUS_HIDE_DEPRECATED_CODE
Expand Down
24 changes: 12 additions & 12 deletions packages/tempus/src/Tempus_StepperExplicitRK_impl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -222,7 +222,7 @@ void StepperExplicitRK<Scalar>::setObserver(
template<class Scalar>
void StepperExplicitRK<Scalar>::initialize()
{
TEUCHOS_TEST_FOR_EXCEPTION( tableau_ == Teuchos::null, std::logic_error,
TEUCHOS_TEST_FOR_EXCEPTION( this->tableau_ == Teuchos::null, std::logic_error,
"Error - Need to set the tableau, before calling "
"StepperExplicitRK::initialize()\n");

Expand All @@ -231,14 +231,14 @@ void StepperExplicitRK<Scalar>::initialize()
"StepperExplicitRK::initialize()\n");

// Initialize the stage vectors
int numStages = tableau_->numStages();
int numStages = this->tableau_->numStages();
stageXDot_.resize(numStages);
for (int i=0; i<numStages; ++i) {
stageXDot_[i] = Thyra::createMember(this->appModel_->get_f_space());
assign(stageXDot_[i].ptr(), Teuchos::ScalarTraits<Scalar>::zero());
}

if ( tableau_->isEmbedded() and this->getUseEmbedded() ){
if ( this->tableau_->isEmbedded() and this->getUseEmbedded() ){
ee_ = Thyra::createMember(this->appModel_->get_f_space());
abs_u0 = Thyra::createMember(this->appModel_->get_f_space());
abs_u = Thyra::createMember(this->appModel_->get_f_space());
Expand Down Expand Up @@ -295,10 +295,10 @@ void StepperExplicitRK<Scalar>::takeStep(
const Scalar dt = workingState->getTimeStep();
const Scalar time = currentState->getTime();

const int numStages = tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = tableau_->A();
Teuchos::SerialDenseVector<int,Scalar> b = tableau_->b();
Teuchos::SerialDenseVector<int,Scalar> c = tableau_->c();
const int numStages = this->tableau_->numStages();
Teuchos::SerialDenseMatrix<int,Scalar> A = this->tableau_->A();
Teuchos::SerialDenseVector<int,Scalar> b = this->tableau_->b();
Teuchos::SerialDenseVector<int,Scalar> c = this->tableau_->c();

this->stageX_ = workingState->getX();
Thyra::assign(this->stageX_.ptr(), *(currentState->getX()));
Expand Down Expand Up @@ -376,15 +376,15 @@ void StepperExplicitRK<Scalar>::takeStep(
// can change the step status
workingState->setSolutionStatus(Status::PASSED);

if (tableau_->isEmbedded() and this->getUseEmbedded()) {
if (this->tableau_->isEmbedded() and this->getUseEmbedded()) {

const Scalar tolRel = workingState->getTolRel();
const Scalar tolAbs = workingState->getTolAbs();

// just compute the error weight vector
// (all that is needed is the error, and not the embedded solution)
Teuchos::SerialDenseVector<int,Scalar> errWght = b ;
errWght -= tableau_->bstar();
errWght -= this->tableau_->bstar();

//compute local truncation error estimate: | u^{n+1} - \hat{u}^{n+1} |
// Sum for solution: ee_n = Sum{ (b(i) - bstar(i)) * dt*f(i) }
Expand Down Expand Up @@ -452,8 +452,8 @@ void StepperExplicitRK<Scalar>::describe(
StepperExplicit<Scalar>::describe(out, verbLevel);

out << "--- StepperExplicitRK ---\n";
if (tableau_ != Teuchos::null) tableau_->describe(out, verbLevel);
out << " tableau_ = " << tableau_ << std::endl;
if (this->tableau_ != Teuchos::null) this->tableau_->describe(out, verbLevel);
out << " tableau_ = " << this->tableau_ << std::endl;
#ifndef TEMPUS_HIDE_DEPRECATED_CODE
out << " stepperObserver_ = " << stepperObserver_ << std::endl;
#endif
Expand Down Expand Up @@ -481,7 +481,7 @@ bool StepperExplicitRK<Scalar>::isValidSetup(Teuchos::FancyOStream & out) const
if ( !Stepper<Scalar>::isValidSetup(out) ) isValidSetup = false;
if ( !StepperExplicit<Scalar>::isValidSetup(out) ) isValidSetup = false;

if (tableau_ == Teuchos::null) {
if (this->tableau_ == Teuchos::null) {
isValidSetup = false;
out << "The tableau is not set!\n";
}
Expand Down
17 changes: 16 additions & 1 deletion packages/tempus/src/Tempus_StepperIMEX_RK_Partition_decl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -356,15 +356,27 @@ class StepperIMEX_RK_Partition : virtual public Tempus::StepperImplicit<Scalar>,

/// \name Basic stepper methods
//@{
/// Returns the explicit tableau!
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getTableau() const
{ return getExplicitTableau(); }

/// Set both the explicit and implicit tableau from ParameterList
virtual void setTableaus(std::string stepperType = "",
Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau = Teuchos::null,
Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau = Teuchos::null);

/// Return explicit tableau.
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getExplicitTableau() const
{ return explicitTableau_; }

/// Set the explicit tableau from tableau
virtual void setExplicitTableau(
Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau);

/// Return implicit tableau.
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getImplicitTableau() const
{ return implicitTableau_; }

/// Set the implicit tableau from tableau
virtual void setImplicitTableau(
Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau);
Expand Down Expand Up @@ -417,7 +429,10 @@ class StepperIMEX_RK_Partition : virtual public Tempus::StepperImplicit<Scalar>,
virtual OrderODE getOrderODE() const {return FIRST_ORDER_ODE;}
//@}

Teuchos::RCP<Thyra::VectorBase<Scalar> >& getStageZ() {return stageZ_;};
/// Return the full stage solution which is Z (the concat of X and Y) for IMEX Partition.
Teuchos::RCP<Thyra::VectorBase<Scalar> > getStageX() {return stageZ_;}
/// Explicitly return the full stage solution, Z.
Teuchos::RCP<Thyra::VectorBase<Scalar> > getStageZ() {return stageZ_;};
std::vector<Teuchos::RCP<Thyra::VectorBase<Scalar> > >& getStageF() {return stageF_;};
std::vector<Teuchos::RCP<Thyra::VectorBase<Scalar> > >& getStageGx() {return stageGx_;};
Teuchos::RCP<Thyra::VectorBase<Scalar> >& getXTilde() {return xTilde_;};
Expand Down
12 changes: 12 additions & 0 deletions packages/tempus/src/Tempus_StepperIMEX_RK_decl.hpp
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -326,15 +326,27 @@ class StepperIMEX_RK : virtual public Tempus::StepperImplicit<Scalar>,

/// \name Basic stepper methods
//@{
/// Returns the explicit tableau!
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getTableau() const
{ return getExplicitTableau(); }

/// Set both the explicit and implicit tableau from ParameterList
virtual void setTableaus( std::string stepperType = "",
Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau = Teuchos::null,
Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau = Teuchos::null);

/// Return explicit tableau.
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getExplicitTableau() const
{ return explicitTableau_; }

/// Set the explicit tableau from tableau
virtual void setExplicitTableau(
Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau);

/// Return implicit tableau.
virtual Teuchos::RCP<const RKButcherTableau<Scalar> > getImplicitTableau() const
{ return implicitTableau_; }

/// Set the implicit tableau from tableau
virtual void setImplicitTableau(
Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau);
Expand Down
Loading