Thyra::ModelEvaluatorBase::OutArgs<Scalar>
Piro::VelocityVerletSolver<Scalar>::createOutArgsImpl() const
{
Thyra::ModelEvaluatorBase::OutArgsSetup<Scalar> outArgs;
outArgs.setModelEvalDescription(this->description());
// One additional response slot for the solution vector
outArgs.set_Np_Ng(num_p, num_g + 1);
const Thyra::ModelEvaluatorBase::OutArgs<Scalar> modelOutArgs = model->createOutArgs();
if (num_p > 0) {
// Only one parameter supported
const int l = 0;
// Computing the DxDp sensitivity for a transient problem currently requires the evaluation of
// the mutilivector-based, Jacobian-oriented DfDp derivatives of the underlying transient model.
const Thyra::ModelEvaluatorBase::DerivativeSupport model_dfdp_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DfDp, l);
if (!model_dfdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM)) {
// Ok to return early since only one parameter supported
return outArgs;
}
// Solution sensitivity
outArgs.setSupports(
Thyra::ModelEvaluatorBase::OUT_ARG_DgDp,
num_g,
l,
Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
if (num_g > 0) {
// Only one response supported
const int j = 0;
const Thyra::ModelEvaluatorBase::DerivativeSupport model_dgdx_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDx, j);
if (!model_dgdx_support.none()) {
const Thyra::ModelEvaluatorBase::DerivativeSupport model_dgdp_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
// Response sensitivity
Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support;
if (model_dgdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM)) {
dgdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
}
if (model_dgdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP)) {
dgdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
}
outArgs.setSupports(
Thyra::ModelEvaluatorBase::OUT_ARG_DgDp,
j,
l,
dgdp_support);
}
}
}
return outArgs;
}
void Piro::SteadyStateSolver<Scalar>::evalConvergedModel(
const Thyra::ModelEvaluatorBase::InArgs<Scalar>& modelInArgs,
const Thyra::ModelEvaluatorBase::OutArgs<Scalar>& outArgs) const
{
using Teuchos::RCP;
using Teuchos::rcp;
// Solution at convergence is the response at index num_g_
{
const RCP<Thyra::VectorBase<Scalar> > gx_out = outArgs.get_g(num_g_);
if (Teuchos::nonnull(gx_out)) {
Thyra::copy(*modelInArgs.get_x(), gx_out.ptr());
}
}
// Setup output for final evalution of underlying model
Thyra::ModelEvaluatorBase::OutArgs<Scalar> modelOutArgs = model_->createOutArgs();
{
// Responses
for (int j = 0; j < num_g_; ++j) {
const RCP<Thyra::VectorBase<Scalar> > g_out = outArgs.get_g(j);
// Forward to underlying model
modelOutArgs.set_g(j, g_out);
}
// Jacobian
{
bool jacobianRequired = false;
for (int j = 0; j <= num_g_; ++j) {
for (int l = 0; l < num_p_; ++l) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv =
outArgs.get_DgDp(j, l);
if (!dgdp_deriv.isEmpty()) {
jacobianRequired = true;
}
}
}
}
if (jacobianRequired) {
const RCP<Thyra::LinearOpWithSolveBase<Scalar> > jacobian =
model_->create_W();
modelOutArgs.set_W(jacobian);
}
}
// DfDp derivatives
for (int l = 0; l < num_p_; ++l) {
Thyra::ModelEvaluatorBase::DerivativeSupport dfdp_request;
for (int j = 0; j <= num_g_; ++j) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv =
outArgs.get_DgDp(j, l);
if (Teuchos::nonnull(dgdp_deriv.getLinearOp())) {
dfdp_request.plus(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
} else if (Teuchos::nonnull(dgdp_deriv.getMultiVector())) {
dfdp_request.plus(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
}
}
}
if (!dfdp_request.none()) {
Thyra::ModelEvaluatorBase::Derivative<Scalar> dfdp_deriv;
if (dfdp_request.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM)) {
dfdp_deriv = Thyra::create_DfDp_mv(*model_, l, Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
} else if (dfdp_request.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP)) {
dfdp_deriv = model_->create_DfDp_op(l);
}
modelOutArgs.set_DfDp(l, dfdp_deriv);
}
}
// DgDx derivatives
for (int j = 0; j < num_g_; ++j) {
Thyra::ModelEvaluatorBase::DerivativeSupport dgdx_request;
for (int l = 0; l < num_p_; ++l) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv =
outArgs.get_DgDp(j, l);
if (!dgdp_deriv.isEmpty()) {
const bool dgdp_mvGrad_required =
Teuchos::nonnull(dgdp_deriv.getMultiVector()) &&
dgdp_deriv.getMultiVectorOrientation() == Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM;
if (dgdp_mvGrad_required) {
dgdx_request.plus(Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM);
} else {
dgdx_request.plus(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
}
}
}
}
if (!dgdx_request.none()) {
Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdx_deriv;
if (dgdx_request.supports(Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM)) {
dgdx_deriv = Thyra::create_DgDx_mv(*model_, j, Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM);
} else if (dgdx_request.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP)) {
dgdx_deriv = model_->create_DgDx_op(j);
}
modelOutArgs.set_DgDx(j, dgdx_deriv);
}
}
// DgDp derivatives
for (int l = 0; l < num_p_; ++l) {
for (int j = 0; j < num_g_; ++j) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv =
outArgs.get_DgDp(j, l);
Thyra::ModelEvaluatorBase::Derivative<Scalar> model_dgdp_deriv;
const RCP<Thyra::LinearOpBase<Scalar> > dgdp_op = dgdp_deriv.getLinearOp();
if (Teuchos::nonnull(dgdp_op)) {
model_dgdp_deriv = model_->create_DgDp_op(j, l);
} else {
model_dgdp_deriv = dgdp_deriv;
}
if (!model_dgdp_deriv.isEmpty()) {
modelOutArgs.set_DgDp(j, l, model_dgdp_deriv);
}
}
}
}
}
// Evaluate underlying model
model_->evalModel(modelInArgs, modelOutArgs);
// Assemble user-requested sensitivities
if (modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_W)) {
const RCP<Thyra::LinearOpWithSolveBase<Scalar> > jacobian =
modelOutArgs.get_W();
if (Teuchos::nonnull(jacobian)) {
for (int l = 0; l < num_p_; ++l) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dfdp_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DfDp, l);
if (!dfdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dfdp_deriv =
modelOutArgs.get_DfDp(l);
const RCP<Thyra::MultiVectorBase<Scalar> > dfdp_mv =
dfdp_deriv.getMultiVector();
RCP<Thyra::LinearOpBase<Scalar> > dfdp_op =
dfdp_deriv.getLinearOp();
if (Teuchos::is_null(dfdp_op)) {
dfdp_op = dfdp_mv;
}
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dxdp_deriv =
outArgs.get_DgDp(num_g_, l);
const RCP<Thyra::LinearOpBase<Scalar> > dxdp_op =
dxdp_deriv.getLinearOp();
const RCP<Thyra::MultiVectorBase<Scalar> > dxdp_mv =
dxdp_deriv.getMultiVector();
RCP<const Thyra::LinearOpBase<Scalar> > minus_dxdp_op;
RCP<Thyra::MultiVectorBase<Scalar> > minus_dxdp_mv;
if (Teuchos::nonnull(dfdp_mv)) {
if (Teuchos::nonnull(dxdp_mv)) {
minus_dxdp_mv = dxdp_mv; // Use user-provided object as temporary
} else {
minus_dxdp_mv =
Thyra::createMembers(model_->get_x_space(), model_->get_p_space(l));
minus_dxdp_op = minus_dxdp_mv;
}
}
if (Teuchos::is_null(minus_dxdp_op)) {
const RCP<const Thyra::LinearOpBase<Scalar> > dfdx_inv_op =
Thyra::inverse<Scalar>(jacobian);
minus_dxdp_op = Thyra::multiply<Scalar>(dfdx_inv_op, dfdp_op);
}
if (Teuchos::nonnull(minus_dxdp_mv)) {
Thyra::assign(minus_dxdp_mv.ptr(), Teuchos::ScalarTraits<Scalar>::zero());
const Thyra::SolveCriteria<Scalar> defaultSolveCriteria;
const Thyra::SolveStatus<Scalar> solveStatus =
Thyra::solve(
*jacobian,
Thyra::NOTRANS,
*dfdp_mv,
minus_dxdp_mv.ptr(),
Teuchos::ptr(&defaultSolveCriteria));
TEUCHOS_TEST_FOR_EXCEPTION(
solveStatus.solveStatus == Thyra::SOLVE_STATUS_UNCONVERGED,
std::runtime_error,
"Jacobian solver failed to converge");
}
// Solution sensitivities
if (Teuchos::nonnull(dxdp_mv)) {
minus_dxdp_mv = Teuchos::null; // Invalidates temporary
Thyra::scale(-Teuchos::ScalarTraits<Scalar>::one(), dxdp_mv.ptr());
} else if (Teuchos::nonnull(dxdp_op)) {
const RCP<Thyra::DefaultMultipliedLinearOp<Scalar> > dxdp_op_downcasted =
Teuchos::rcp_dynamic_cast<Thyra::DefaultMultipliedLinearOp<Scalar> >(dxdp_op);
TEUCHOS_TEST_FOR_EXCEPTION(
Teuchos::is_null(dxdp_op_downcasted),
std::invalid_argument,
"Illegal operator for DgDp(" <<
"j = " << num_g_ << ", " <<
"index l = " << l << ")\n");
const RCP<const Thyra::LinearOpBase<Scalar> > minus_id_op =
Thyra::scale<Scalar>(-Teuchos::ScalarTraits<Scalar>::one(), Thyra::identity(dfdp_op->domain()));
dxdp_op_downcasted->initialize(Teuchos::tuple(minus_dxdp_op, minus_id_op));
}
// Response sensitivities
for (int j = 0; j < num_g_; ++j) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv =
outArgs.get_DgDp(j, l);
if (!dgdp_deriv.isEmpty()) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdx_deriv =
modelOutArgs.get_DgDx(j);
const RCP<const Thyra::MultiVectorBase<Scalar> > dgdx_mv =
dgdx_deriv.getMultiVector();
RCP<const Thyra::LinearOpBase<Scalar> > dgdx_op =
dgdx_deriv.getLinearOp();
if (Teuchos::is_null(dgdx_op)) {
dgdx_op = Thyra::adjoint<Scalar>(dgdx_mv);
}
const RCP<Thyra::LinearOpBase<Scalar> > dgdp_op =
dgdp_deriv.getLinearOp();
if (Teuchos::nonnull(dgdp_op)) {
const RCP<Thyra::DefaultAddedLinearOp<Scalar> > dgdp_op_downcasted =
Teuchos::rcp_dynamic_cast<Thyra::DefaultAddedLinearOp<Scalar> >(dgdp_op);
TEUCHOS_TEST_FOR_EXCEPTION(
Teuchos::is_null(dgdp_op_downcasted),
std::invalid_argument,
"Illegal operator for DgDp(" <<
"j = " << j << ", " <<
"index l = " << l << ")\n");
dgdp_op_downcasted->uninitialize();
const RCP<const Thyra::LinearOpBase<Scalar> > implicit_dgdp_op =
Thyra::multiply<Scalar>(
Thyra::scale<Scalar>(-Teuchos::ScalarTraits<Scalar>::one(), dgdx_op),
minus_dxdp_op);
const RCP<const Thyra::LinearOpBase<Scalar> > model_dgdp_op =
modelOutArgs.get_DgDp(j, l).getLinearOp();
Teuchos::Array<RCP<const Thyra::LinearOpBase<Scalar> > > op_args(2);
op_args[0] = model_dgdp_op;
op_args[1] = implicit_dgdp_op;
dgdp_op_downcasted->initialize(op_args);
}
const RCP<Thyra::MultiVectorBase<Scalar> > dgdp_mv =
dgdp_deriv.getMultiVector();
if (Teuchos::nonnull(dgdp_mv)) {
if (dgdp_deriv.getMultiVectorOrientation() == Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM) {
if (Teuchos::nonnull(dxdp_mv)) {
Thyra::apply(
*dxdp_mv,
Thyra::TRANS,
*dgdx_mv,
dgdp_mv.ptr(),
Teuchos::ScalarTraits<Scalar>::one(),
Teuchos::ScalarTraits<Scalar>::one());
} else {
Thyra::apply(
*minus_dxdp_mv,
Thyra::TRANS,
*dgdx_mv,
dgdp_mv.ptr(),
-Teuchos::ScalarTraits<Scalar>::one(),
Teuchos::ScalarTraits<Scalar>::one());
}
} else {
if (Teuchos::nonnull(dxdp_mv)) {
Thyra::apply(
*dgdx_op,
Thyra::NOTRANS,
*dxdp_mv,
dgdp_mv.ptr(),
Teuchos::ScalarTraits<Scalar>::one(),
Teuchos::ScalarTraits<Scalar>::one());
} else {
Thyra::apply(
*dgdx_op,
Thyra::NOTRANS,
*minus_dxdp_mv,
dgdp_mv.ptr(),
-Teuchos::ScalarTraits<Scalar>::one(),
Teuchos::ScalarTraits<Scalar>::one());
}
}
}
}
}
}
}
}
}
}
}
Thyra::ModelEvaluatorBase::OutArgs<Scalar> Piro::SteadyStateSolver<Scalar>::createOutArgsImpl() const
{
Thyra::ModelEvaluatorBase::OutArgsSetup<Scalar> result;
result.setModelEvalDescription(this->description());
// One additional response slot for the solution vector
result.set_Np_Ng(num_p_, num_g_ + 1);
const Thyra::ModelEvaluatorBase::OutArgs<Scalar> modelOutArgs = model_->createOutArgs();
// Sensitivity support (Forward approach only)
// Jacobian solver required for all sensitivities
if (modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_W)) {
for (int l = 0; l < num_p_; ++l) {
// Solution sensitivities: DxDp(l)
// DfDp(l) required
const Thyra::ModelEvaluatorBase::DerivativeSupport dfdp_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DfDp, l);
const bool dxdp_linOpSupport =
dfdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
const bool dxdp_mvJacSupport =
dfdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
{
Thyra::ModelEvaluatorBase::DerivativeSupport dxdp_support;
if (dxdp_linOpSupport) {
dxdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
}
if (dxdp_mvJacSupport) {
dxdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
}
result.setSupports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, num_g_, l, dxdp_support);
}
// Response sensitivities: DgDp(j, l)
// DxDp(l) required
if (dxdp_linOpSupport || dxdp_mvJacSupport) {
for (int j = 0; j < num_g_; ++j) {
// DgDx(j) required
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdx_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDx, j);
const bool dgdx_linOpSupport =
dgdx_support.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
const bool dgdx_mvGradSupport =
dgdx_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM);
if (dgdx_linOpSupport || dgdx_mvGradSupport) {
// Dgdp(j, l) required
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
modelOutArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
Thyra::ModelEvaluatorBase::DerivativeSupport total_dgdp_support;
if (dgdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP) &&
dgdx_linOpSupport && dxdp_linOpSupport) {
total_dgdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_LINEAR_OP);
}
if (dxdp_mvJacSupport) {
if (dgdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM)) {
total_dgdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
}
if (dgdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM) &&
dgdx_mvGradSupport) {
total_dgdp_support.plus(Thyra::ModelEvaluatorBase::DERIV_MV_GRADIENT_FORM);
}
}
result.setSupports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l, total_dgdp_support);
}
}
}
}
}
return result;
}
void Piro::RythmosSolver<Scalar>::evalModelImpl(
#endif
const Thyra::ModelEvaluatorBase::InArgs<Scalar>& inArgs,
const Thyra::ModelEvaluatorBase::OutArgs<Scalar>& outArgs) const
{
using Teuchos::RCP;
using Teuchos::rcp;
// TODO: Support more than 1 parameter and 1 response
const int j = 0;
const int l = 0;
// Parse InArgs
RCP<const Thyra::VectorBase<Scalar> > p_in;
if (num_p > 0) {
p_in = inArgs.get_p(l);
}
RCP<const Thyra::VectorBase<Scalar> > p_in2; //JF add for multipoint
if (num_p > 1) {
p_in2 = inArgs.get_p(l+1);
}
// Parse OutArgs
RCP<Thyra::VectorBase<Scalar> > g_out;
if (num_g > 0) {
g_out = outArgs.get_g(j);
}
const RCP<Thyra::VectorBase<Scalar> > gx_out = outArgs.get_g(num_g);
Thyra::ModelEvaluatorBase::InArgs<Scalar> state_ic = model->getNominalValues();
// Set initial time in ME if needed
if(t_initial > 0.0 && state_ic.supports(Thyra::ModelEvaluatorBase::IN_ARG_t))
state_ic.set_t(t_initial);
if (Teuchos::nonnull(initialConditionModel)) {
// The initial condition depends on the parameter
// It is found by querying the auxiliary model evaluator as the last response
const RCP<Thyra::VectorBase<Scalar> > initialState =
Thyra::createMember(model->get_x_space());
{
Thyra::ModelEvaluatorBase::InArgs<Scalar> initCondInArgs = initialConditionModel->createInArgs();
if (num_p > 0) {
initCondInArgs.set_p(l, inArgs.get_p(l));
}
Thyra::ModelEvaluatorBase::OutArgs<Scalar> initCondOutArgs = initialConditionModel->createOutArgs();
initCondOutArgs.set_g(initCondOutArgs.Ng() - 1, initialState);
initialConditionModel->evalModel(initCondInArgs, initCondOutArgs);
}
state_ic.set_x(initialState);
}
// Set paramters p_in as part of initial conditions
if (num_p > 0) {
if (Teuchos::nonnull(p_in)) {
state_ic.set_p(l, p_in);
}
}
if (num_p > 1) { //JF added for multipoint
if (Teuchos::nonnull(p_in2)) {
state_ic.set_p(l+1, p_in2);
}
}
*out << "\nstate_ic:\n" << Teuchos::describe(state_ic, solnVerbLevel);
//JF may need a version of the following for multipoint, i.e. num_p>1, l+1, if we want sensitivities
RCP<Thyra::MultiVectorBase<Scalar> > dgxdp_out;
Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv_out;
if (num_p > 0) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgxdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, num_g, l);
if (dgxdp_support.supports(Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM)) {
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgxdp_deriv =
outArgs.get_DgDp(num_g, l);
dgxdp_out = dgxdp_deriv.getMultiVector();
}
if (num_g > 0) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, j, l);
if (!dgdp_support.none()) {
dgdp_deriv_out = outArgs.get_DgDp(j, l);
}
}
}
const bool requestedSensitivities =
Teuchos::nonnull(dgxdp_out) || !dgdp_deriv_out.isEmpty();
RCP<const Thyra::VectorBase<Scalar> > finalSolution;
if (!requestedSensitivities) {
//
*out << "\nE) Solve the forward problem ...\n";
//
fwdStateStepper->setInitialCondition(state_ic);
fwdStateIntegrator->setStepper(fwdStateStepper, t_final, true);
*out << "T final : " << t_final << " \n";
Teuchos::Array<RCP<const Thyra::VectorBase<Scalar> > > x_final_array;
fwdStateIntegrator->getFwdPoints(
Teuchos::tuple<Scalar>(t_final), &x_final_array, NULL, NULL);
finalSolution = x_final_array[0];
if (Teuchos::VERB_MEDIUM <= solnVerbLevel) {
std::cout << "Final Solution\n" << *finalSolution << std::endl;
}
} else { // Computing sensitivities
//
*out << "\nE) Solve the forward problem with Sensitivities...\n";
//
RCP<Rythmos::ForwardSensitivityStepper<Scalar> > stateAndSensStepper =
Rythmos::forwardSensitivityStepper<Scalar>();
stateAndSensStepper->initializeSyncedSteppers(
model, l, model->getNominalValues(),
fwdStateStepper, fwdTimeStepSolver);
//
// Set the initial condition for the state and forward sensitivities
//
const RCP<Thyra::VectorBase<Scalar> > s_bar_init =
Thyra::createMember(stateAndSensStepper->getFwdSensModel()->get_x_space());
const RCP<Thyra::VectorBase<Scalar> > s_bar_dot_init =
Thyra::createMember(stateAndSensStepper->getFwdSensModel()->get_x_space());
if (Teuchos::is_null(initialConditionModel)) {
// The initial condition is assumed to be independent from the parameters
// Therefore, the initial condition for the sensitivity is zero
Thyra::assign(s_bar_init.ptr(), Teuchos::ScalarTraits<Scalar>::zero());
} else {
// Use initialConditionModel to compute initial condition for sensitivity
Thyra::ModelEvaluatorBase::InArgs<Scalar> initCondInArgs = initialConditionModel->createInArgs();
initCondInArgs.set_p(l, inArgs.get_p(l));
Thyra::ModelEvaluatorBase::OutArgs<Scalar> initCondOutArgs = initialConditionModel->createOutArgs();
typedef Thyra::DefaultMultiVectorProductVector<Scalar> DMVPV;
const RCP<DMVPV> s_bar_init_downcasted = Teuchos::rcp_dynamic_cast<DMVPV>(s_bar_init);
const Thyra::ModelEvaluatorBase::Derivative<Scalar> initCond_deriv(
s_bar_init_downcasted->getNonconstMultiVector(),
Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM);
initCondOutArgs.set_DgDp(initCondOutArgs.Ng() - 1, l, initCond_deriv);
initialConditionModel->evalModel(initCondInArgs, initCondOutArgs);
}
Thyra::assign(s_bar_dot_init.ptr(), Teuchos::ScalarTraits<Scalar>::zero());
RCP<const Rythmos::StateAndForwardSensitivityModelEvaluator<Scalar> >
stateAndSensModel = stateAndSensStepper->getStateAndFwdSensModel();
Thyra::ModelEvaluatorBase::InArgs<Scalar>
state_and_sens_ic = stateAndSensStepper->getModel()->createInArgs();
// Copy time, parameters etc.
state_and_sens_ic.setArgs(state_ic);
// Set initial condition for x_bar = [ x; s_bar ]
state_and_sens_ic.set_x(stateAndSensModel->create_x_bar_vec(state_ic.get_x(), s_bar_init));
// Set initial condition for x_bar_dot = [ x_dot; s_bar_dot ]
state_and_sens_ic.set_x_dot(stateAndSensModel->create_x_bar_vec(state_ic.get_x_dot(), s_bar_dot_init));
stateAndSensStepper->setInitialCondition(state_and_sens_ic);
//
// Use a StepperAsModelEvaluator to integrate the state+sens
//
const RCP<Rythmos::StepperAsModelEvaluator<Scalar> >
stateAndSensIntegratorAsModel = Rythmos::stepperAsModelEvaluator(
Teuchos::rcp_implicit_cast<Rythmos::StepperBase<Scalar> >(stateAndSensStepper),
Teuchos::rcp_implicit_cast<Rythmos::IntegratorBase<Scalar> >(fwdStateIntegrator),
state_and_sens_ic);
// StepperAsModelEvaluator outputs the solution as its last response
const int stateAndSensModelStateResponseIndex = stateAndSensIntegratorAsModel->Ng() - 1;
*out << "\nUse the StepperAsModelEvaluator to integrate state + sens x_bar(p,t_final) ... \n";
Teuchos::OSTab tab(out);
// Solution sensitivity in column-oriented (Jacobian) MultiVector form
RCP<const Thyra::MultiVectorBase<Scalar> > dxdp;
const RCP<Thyra::VectorBase<Scalar> > x_bar_final =
Thyra::createMember(stateAndSensIntegratorAsModel->get_g_space(stateAndSensModelStateResponseIndex));
// Extract pieces of x_bar_final to prepare output
{
const RCP<const Thyra::ProductVectorBase<Scalar> > x_bar_final_downcasted =
Thyra::productVectorBase<Scalar>(x_bar_final);
// Solution
const int solutionBlockIndex = 0;
finalSolution = x_bar_final_downcasted->getVectorBlock(solutionBlockIndex);
// Sensitivity
const int sensitivityBlockIndex = 1;
const RCP<const Thyra::VectorBase<Scalar> > s_bar_final =
x_bar_final_downcasted->getVectorBlock(sensitivityBlockIndex);
{
typedef Thyra::DefaultMultiVectorProductVector<Scalar> DMVPV;
const RCP<const DMVPV> s_bar_final_downcasted = Teuchos::rcp_dynamic_cast<const DMVPV>(s_bar_final);
dxdp = s_bar_final_downcasted->getMultiVector();
}
}
Thyra::eval_g(
*stateAndSensIntegratorAsModel,
l, *state_ic.get_p(l),
t_final,
stateAndSensModelStateResponseIndex, x_bar_final.get()
);
*out
<< "\nx_bar_final = x_bar(p,t_final) evaluated using "
<< "stateAndSensIntegratorAsModel:\n"
<< Teuchos::describe(*x_bar_final,solnVerbLevel);
if (Teuchos::nonnull(dgxdp_out)) {
Thyra::assign(dgxdp_out.ptr(), *dxdp);
}
if (!dgdp_deriv_out.isEmpty()) {
RCP<Thyra::DefaultAddedLinearOp<Scalar> > dgdp_op_out;
{
const RCP<Thyra::LinearOpBase<Scalar> > dgdp_op = dgdp_deriv_out.getLinearOp();
if (Teuchos::nonnull(dgdp_op)) {
dgdp_op_out = Teuchos::rcp_dynamic_cast<Thyra::DefaultAddedLinearOp<Scalar> >(dgdp_op);
dgdp_op_out.assert_not_null();
}
}
Thyra::ModelEvaluatorBase::InArgs<Scalar> modelInArgs = model->createInArgs();
{
modelInArgs.set_x(finalSolution);
if (num_p > 0) {
modelInArgs.set_p(l, p_in);
}
}
// require dgdx, dgdp from model
Thyra::ModelEvaluatorBase::OutArgs<Scalar> modelOutArgs = model->createOutArgs();
{
const Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdx_deriv(model->create_DgDx_op(j));
modelOutArgs.set_DgDx(j, dgdx_deriv);
Thyra::ModelEvaluatorBase::Derivative<Scalar> dgdp_deriv;
if (Teuchos::nonnull(dgdp_op_out)) {
dgdp_deriv = model->create_DgDp_op(j, l);
} else {
dgdp_deriv = dgdp_deriv_out;
}
modelOutArgs.set_DgDp(j, l, dgdp_deriv);
}
model->evalModel(modelInArgs, modelOutArgs);
const RCP<const Thyra::LinearOpBase<Scalar> > dgdx =
modelOutArgs.get_DgDx(j).getLinearOp();
// dgdp_out = dgdp + <dgdx, dxdp>
if (Teuchos::nonnull(dgdp_op_out)) {
Teuchos::Array<RCP<const Thyra::LinearOpBase<Scalar> > > op_args(2);
{
op_args[0] = modelOutArgs.get_DgDp(j, l).getLinearOp();
op_args[1] = Thyra::multiply<Scalar>(dgdx, dxdp);
}
dgdp_op_out->initialize(op_args);
} else {
const RCP<Thyra::MultiVectorBase<Scalar> > dgdp_mv_out = dgdp_deriv_out.getMultiVector();
Thyra::apply(
*dgdx,
Thyra::NOTRANS,
*dxdp,
dgdp_mv_out.ptr(),
Teuchos::ScalarTraits<Scalar>::one(),
Teuchos::ScalarTraits<Scalar>::one());
}
}
}
*out << "\nF) Check the solution to the forward problem ...\n";
// As post-processing step, calculate responses at final solution
{
Thyra::ModelEvaluatorBase::InArgs<Scalar> modelInArgs = model->createInArgs();
{
modelInArgs.set_x(finalSolution);
if (num_p > 0) {
modelInArgs.set_p(l, p_in);
}
if (num_p > 1) { //JF added for multipoint
modelInArgs.set_p(l+1, p_in2);
}
//Set time to be final time at which the solve occurs (< t_final in the case we don't make it to t_final).
modelInArgs.set_t(fwdStateStepper->getTimeRange().lower());
}
Thyra::ModelEvaluatorBase::OutArgs<Scalar> modelOutArgs = model->createOutArgs();
if (Teuchos::nonnull(g_out)) {
Thyra::put_scalar(Teuchos::ScalarTraits<Scalar>::zero(), g_out.ptr());
modelOutArgs.set_g(j, g_out);
}
model->evalModel(modelInArgs, modelOutArgs);
}
// Return the final solution as an additional g-vector, if requested
if (Teuchos::nonnull(gx_out)) {
Thyra::copy(*finalSolution, gx_out.ptr());
}
}
void
Piro::LOCAAdaptiveSolver<Scalar>::evalModelImpl(
const Thyra::ModelEvaluatorBase::InArgs<Scalar>& inArgs,
const Thyra::ModelEvaluatorBase::OutArgs<Scalar>& outArgs) const
{
const int l = 0; // TODO: Allow user to select parameter index
const Teuchos::RCP<const Thyra::VectorBase<Scalar> > p_inargs = inArgs.get_p(l);
// Forward parameter values to the LOCAAdaptive stepper
{
const Teuchos::RCP<const Thyra::VectorBase<Scalar> > p_inargs_or_nominal =
Teuchos::nonnull(p_inargs) ? p_inargs : this->getNominalValues().get_p(l);
const Thyra::ConstDetachedVectorView<Scalar> p_init_values(p_inargs_or_nominal);
const Teuchos_Ordinal p_entry_count = p_init_values.subDim();
TEUCHOS_ASSERT(p_entry_count == Teuchos::as<Teuchos_Ordinal>(paramVector_.length()));
for (Teuchos_Ordinal k = 0; k < p_entry_count; ++k) {
paramVector_[k] = p_init_values[k];
}
// solMgr_->getSolutionGroup()->setParams(paramVector_);
Teuchos::rcp_dynamic_cast< ::Thyra::LOCAAdaptiveState >(solMgr_->getState())
->getSolutionGroup()->setParams(paramVector_);
}
LOCA::Abstract::Iterator::IteratorStatus status;
status = stepper_->run();
if (status == LOCA::Abstract::Iterator::Finished) {
utils_.out() << "Continuation Stepper Finished.\n";
} else if (status == LOCA::Abstract::Iterator::NotFinished) {
utils_.out() << "Continuation Stepper did not reach final value.\n";
} else {
utils_.out() << "Nonlinear solver failed to converge.\n";
outArgs.setFailed();
}
// The time spent
globalData_->locaUtils->out() << std::endl <<
"#### Statistics ########" << std::endl;
// Check number of steps
int numSteps = stepper_->getStepNumber();
globalData_->locaUtils->out() << std::endl <<
" Number of continuation Steps = " << numSteps << std::endl;
// Check number of failed steps
int numFailedSteps = stepper_->getNumFailedSteps();
globalData_->locaUtils->out() << std::endl <<
" Number of failed continuation Steps = " << numFailedSteps << std::endl;
globalData_->locaUtils->out() << std::endl;
// Note: the last g is used to store the final solution. It can be null - if it is just
// skip the store. If adaptation has occurred, g is not the correct size.
const Teuchos::RCP<Thyra::VectorBase<Scalar> > x_outargs = outArgs.get_g(this->num_g());
Teuchos::RCP<Thyra::VectorBase<Scalar> > x_final;
int x_args_dim = 0;
int f_sol_dim = 0;
// Pardon the nasty cast to resize the last g in outArgs - need to fit the solution
Thyra::ModelEvaluatorBase::OutArgs<Scalar>* mutable_outArgsPtr =
const_cast<Thyra::ModelEvaluatorBase::OutArgs<Scalar>* >(&outArgs);
if(Teuchos::nonnull(x_outargs)){ // g has been allocated, calculate the sizes of g and the solution
x_args_dim = x_outargs->space()->dim();
// f_sol_dim = solMgr_->getSolutionGroup()->getX().length();
f_sol_dim = Teuchos::rcp_dynamic_cast< ::Thyra::LOCAAdaptiveState >(solMgr_->getState())
->getSolutionGroup()->getX().length();
}
if(Teuchos::is_null(x_outargs) || (x_args_dim != f_sol_dim)){ // g is not the right size
x_final = Thyra::createMember(this->get_g_space(this->num_g()));
mutable_outArgsPtr->set_g(this->num_g(), x_final);
}
else { // g is OK, use it
x_final = x_outargs;
}
{
// Deep copy final solution from LOCA group
NOX::Thyra::Vector finalSolution(x_final);
// finalSolution = solMgr_->getSolutionGroup()->getX();
finalSolution = Teuchos::rcp_dynamic_cast< ::Thyra::LOCAAdaptiveState >(solMgr_->getState())
->getSolutionGroup()->getX();
}
// If the arrays need resizing
if(x_args_dim != f_sol_dim){
const int parameterCount = this->Np();
for (int pc = 0; pc < parameterCount; ++pc) {
const Thyra::ModelEvaluatorBase::DerivativeSupport dgdp_support =
outArgs.supports(Thyra::ModelEvaluatorBase::OUT_ARG_DgDp, this->num_g(), pc);
const Thyra::ModelEvaluatorBase::EDerivativeMultiVectorOrientation dgdp_orient =
Thyra::ModelEvaluatorBase::DERIV_MV_JACOBIAN_FORM;
if (dgdp_support.supports(dgdp_orient)) {
const Thyra::ModelEvaluatorBase::DerivativeMultiVector<Scalar> dgdp =
Thyra::create_DgDp_mv(*this, this->num_g(), pc, dgdp_orient);
mutable_outArgsPtr->set_DgDp(this->num_g(), pc, dgdp);
}
}
}
// Compute responses for the final solution
{
Thyra::ModelEvaluatorBase::InArgs<Scalar> modelInArgs =
this->getModel().createInArgs();
{
modelInArgs.set_x(x_final);
modelInArgs.set_p(l, p_inargs);
}
this->evalConvergedModel(modelInArgs, outArgs);
// Save the final solution TODO: this needs to be redone
Teuchos::RCP<Thyra::ModelEvaluatorBase::InArgs<Scalar> > fp
= Teuchos::rcp_const_cast<Thyra::ModelEvaluatorBase::InArgs<Scalar> >(finalPoint_);
Thyra::ModelEvaluatorBase::InArgsSetup<Scalar> ia;
ia.setSupports(Thyra::ModelEvaluatorBase::IN_ARG_x, true);
*fp = ia;
fp->set_x(x_final);
}
}