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Tempus_StepperIMEX_RK_impl.hpp
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8 
9 #ifndef Tempus_StepperIMEX_RK_impl_hpp
10 #define Tempus_StepperIMEX_RK_impl_hpp
11 
12 #include "Thyra_VectorStdOps.hpp"
13 
14 #include "Tempus_StepperFactory.hpp"
16 
17 
18 namespace Tempus {
19 
20 
21 template<class Scalar>
23 {
25  stepperType != "IMEX RK 1st order" &&
26  stepperType != "SSP1_111" &&
27  stepperType != "IMEX RK SSP2" &&
28  stepperType != "IMEX RK SSP3" &&
29  stepperType != "SSP3_332" &&
30  stepperType != "SSP2_222" &&
31  stepperType != "SSP2_222_L" &&
32  stepperType != "SSP2_222_A" &&
33  stepperType != "IMEX RK ARS 233" &&
34  stepperType != "ARS 233" &&
35  stepperType != "General IMEX RK", std::logic_error,
36  " 'Stepper Type' (='" + stepperType +"')\n"
37  " does not match one of the types for this Stepper:\n"
38  " 'IMEX RK 1st order'\n"
39  " 'SSP1_111'\n"
40  " 'IMEX RK SSP2'\n"
41  " 'IMEX RK SSP3'\n"
42  " 'SSP3_332'\n"
43  " 'SSP2_222'\n"
44  " 'SSP2_222_L'\n"
45  " 'SSP2_222_A'\n"
46  " 'IMEX RK ARS 233'\n"
47  " 'ARS 233'\n"
48  " 'General IMEX RK'\n");
49 
50  this->setStepperName( stepperType);
51  this->setStepperType( stepperType);
52  this->setUseFSAL( false);
53  this->setICConsistency( "None");
54  this->setICConsistencyCheck( false);
55  this->setZeroInitialGuess( false);
56 
57  this->setStageNumber(-1);
58 
59  this->setTableaus(stepperType);
60  this->setAppAction(Teuchos::null);
61  this->setDefaultSolver();
62 }
63 
64 
65 template<class Scalar>
67  const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& appModel,
69  bool useFSAL,
70  std::string ICConsistency,
71  bool ICConsistencyCheck,
72  bool zeroInitialGuess,
73  const Teuchos::RCP<StepperRKAppAction<Scalar> >& stepperRKAppAction,
74  std::string stepperType,
75  Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau,
76  Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau,
77  Scalar order)
78 {
80  stepperType != "IMEX RK 1st order" &&
81  stepperType != "SSP1_111" &&
82  stepperType != "IMEX RK SSP2" &&
83  stepperType != "IMEX RK SSP3" &&
84  stepperType != "SSP3_332" &&
85  stepperType != "SSP2_222" &&
86  stepperType != "SSP2_222_L" &&
87  stepperType != "SSP2_222_A" &&
88  stepperType != "IMEX RK ARS 233" &&
89  stepperType != "ARS 233" &&
90  stepperType != "General IMEX RK", std::logic_error,
91  " 'Stepper Type' (='" + stepperType +"')\n"
92  " does not match one of the types for this Stepper:\n"
93  " 'IMEX RK 1st order'\n"
94  " 'SSP1_111'\n"
95  " 'IMEX RK SSP2'\n"
96  " 'IMEX RK SSP3'\n"
97  " 'SSP3_332'\n"
98  " 'SSP2_222'\n"
99  " 'SSP2_222_L'\n"
100  " 'SSP2_222_A'\n"
101  " 'IMEX RK ARS 233'\n"
102  " 'ARS 233'\n"
103  " 'General IMEX RK'\n");
104 
105  this->setStepperName( stepperType);
106  this->setStepperType( stepperType);
107  this->setUseFSAL( useFSAL);
108  this->setICConsistency( ICConsistency);
109  this->setICConsistencyCheck( ICConsistencyCheck);
110  this->setZeroInitialGuess( zeroInitialGuess);
111 
112  this->setStageNumber(-1);
113 
114  if ( stepperType == "General IMEX RK" ) {
115  this->setExplicitTableau(explicitTableau);
116  this->setImplicitTableau(implicitTableau);
117  } else {
118  this->setTableaus(stepperType);
119  }
120  this->setOrder(order);
121  this->setAppAction(stepperRKAppAction);
122  this->setSolver(solver);
123 
124  if (appModel != Teuchos::null) {
125  this->setModel(appModel);
126  this->initialize();
127  }
128 }
129 
130 
131 template<class Scalar>
132 void StepperIMEX_RK<Scalar>::setTableaus(std::string stepperType,
133  Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau,
134  Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau)
135 {
136  if (stepperType == "") stepperType = "IMEX RK SSP2";
137 
138  if (stepperType == "IMEX RK 1st order" ) {
139  {
140  // Explicit Tableau
142  int NumStages = 2;
143  Teuchos::SerialDenseMatrix<int,Scalar> A(NumStages,NumStages);
146  const Scalar one = ST::one();
147  const Scalar zero = ST::zero();
148 
149  // Fill A:
150  A(0,0) = zero; A(0,1) = zero;
151  A(1,0) = one; A(1,1) = zero;
152 
153  // Fill b:
154  b(0) = one; b(1) = zero;
155 
156  // Fill c:
157  c(0) = zero; c(1) = one;
158 
159  int order = 1;
160 
161  auto expTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
162  "Explicit Tableau - IMEX RK 1st order",
163  A,b,c,order,order,order));
164  expTableau->setTVD(true);
165  expTableau->setTVDCoeff(2.0);
166 
167  this->setExplicitTableau(expTableau);
168  }
169  {
170  // Implicit Tableau
172  int NumStages = 2;
173  const Scalar sspcoef = std::numeric_limits<Scalar>::max();
174  Teuchos::SerialDenseMatrix<int,Scalar> A(NumStages,NumStages);
177  const Scalar one = ST::one();
178  const Scalar zero = ST::zero();
179 
180  // Fill A:
181  A(0,0) = zero; A(0,1) = zero;
182  A(1,0) = zero; A(1,1) = one;
183 
184  // Fill b:
185  b(0) = zero; b(1) = one;
186 
187  // Fill c:
188  c(0) = zero; c(1) = one;
189 
190  int order = 1;
191 
192  auto impTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
193  "Implicit Tableau - IMEX RK 1st order",
194  A,b,c,order,order,order));
195  impTableau->setTVD(true);
196  impTableau->setTVDCoeff(sspcoef);
197 
198  this->setImplicitTableau(impTableau);
199  }
200  this->setStepperName("IMEX RK 1st order");
201  this->setStepperType("IMEX RK 1st order");
202  this->setOrder(1);
203 
204  } else if ( stepperType == "SSP1_111" )
205  {
206  {
207  // Explicit Tableau
209  const int NumStages = 1;
210  const int order = 1;
211  Teuchos::SerialDenseMatrix<int,Scalar> A(NumStages,NumStages);
214  const Scalar one = ST::one();
215  const Scalar zero = ST::zero();
216 
217  // Fill A:
218  A(0,0) = zero;
219 
220  // Fill b:
221  b(0) = one;
222 
223  // Fill c:
224  c(0) = zero;
225 
226  auto expTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
227  "Explicit Tableau - SSP1_111",A,b,c,order,order,order));
228  expTableau->setTVD(true);
229  expTableau->setTVDCoeff(1.0);
230 
231  this->setExplicitTableau(expTableau);
232  }
233  {
234  // Implicit Tableau
236  const int NumStages = 1;
237  const int order = 1;
238  const Scalar sspcoef = std::numeric_limits<Scalar>::max();
239  Teuchos::SerialDenseMatrix<int,Scalar> A(NumStages,NumStages);
242  const Scalar one = ST::one();
243 
244  // Fill A:
245  A(0,0) = one;
246 
247  // Fill b:
248  b(0) = one;
249 
250  // Fill c:
251  c(0) = one;
252 
253  auto impTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
254  "Implicit Tableau - SSP1_111",
255  A,b,c,order,order,order));
256  impTableau->setTVD(true);
257  impTableau->setTVDCoeff(sspcoef);
258 
259  this->setImplicitTableau(impTableau);
260  }
261  this->setStepperName("SSP1_111");
262  this->setStepperType("SSP1_111");
263  this->setOrder(1);
264 
265  } else if (stepperType == "IMEX RK SSP2" || stepperType == "SSP2_222_L" ) {
266  // Explicit Tableau
267  auto stepperERK = Teuchos::rcp(new StepperERK_Trapezoidal<Scalar>());
268  this->setExplicitTableau(stepperERK->getTableau());
269 
270  // Implicit Tableau
271  auto stepperSDIRK = Teuchos::rcp(new StepperSDIRK_2Stage3rdOrder<Scalar>());
272  stepperSDIRK->setGammaType("2nd Order L-stable");
273  this->setImplicitTableau(stepperSDIRK->getTableau());
274 
275  this->setStepperName("IMEX RK SSP2");
276  this->setStepperType("IMEX RK SSP2");
277  this->setOrder(2);
278  } else if (stepperType == "SSP2_222" || stepperType == "SSP2_222_A" ) {
279  // Explicit Tableau
280  auto stepperERK = Teuchos::rcp(new StepperERK_Trapezoidal<Scalar>());
281  this->setExplicitTableau(stepperERK->getTableau());
282 
283  // Implicit Tableau
284  auto stepperSDIRK = Teuchos::rcp(new StepperSDIRK_2Stage3rdOrder<Scalar>());
285  stepperSDIRK->setGammaType("gamma");
286  stepperSDIRK->setGamma( 0.5 );
287  this->setImplicitTableau(stepperSDIRK->getTableau());
288 
289  this->setStepperName("SSP2_222");
290  this->setStepperType("SSP2_222");
291  this->setOrder(2);
292  } else if (stepperType == "IMEX RK SSP3" || stepperType == "SSP3_332" ) {
293  // Explicit Tableau
294  auto stepperERK = Teuchos::rcp(new StepperERK_3Stage3rdOrderTVD<Scalar>());
295  this->setExplicitTableau(stepperERK->getTableau());
296 
297  // Implicit Tableau
298  auto stepperSDIRK = Teuchos::rcp(new StepperSDIRK_3Stage2ndOrder<Scalar>());
299  this->setImplicitTableau(stepperSDIRK->getTableau());
300 
301  this->setStepperName("IMEX RK SSP3");
302  this->setStepperType("IMEX RK SSP3");
303  this->setOrder(2);
304  } else if (stepperType == "IMEX RK ARS 233" || stepperType == "ARS 233" ) {
306  int NumStages = 3;
307  Teuchos::SerialDenseMatrix<int,Scalar> A(NumStages,NumStages);
310  const Scalar one = ST::one();
311  const Scalar zero = ST::zero();
312  const Scalar onehalf = ST::one()/(2*ST::one());
313  const Scalar gamma = (3*one+ST::squareroot(3*one))/(6*one);
314  {
315  // Explicit Tableau
316  // Fill A:
317  A(0,0) = zero; A(0,1) = zero; A(0,2) = zero;
318  A(1,0) = gamma; A(1,1) = zero; A(1,2) = zero;
319  A(2,0) = (gamma-1.0); A(2,1) = (2.0-2.0*gamma); A(2,2) = zero;
320 
321  // Fill b:
322  b(0) = zero; b(1) = onehalf; b(2) = onehalf;
323 
324  // Fill c:
325  c(0) = zero; c(1) = gamma; c(2) = one-gamma;
326 
327  int order = 2;
328 
329  auto expTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
330  "Partition IMEX-RK Explicit Stepper",A,b,c,order,order,order));
331 
332  this->setExplicitTableau(expTableau);
333  }
334  {
335  // Implicit Tableau
336  // Fill A:
337  A(0,0) = zero; A(0,1) = zero; A(0,2) = zero;
338  A(1,0) = zero; A(1,1) = gamma; A(1,2) = zero;
339  A(2,0) = zero; A(2,1) = (1.0-2.0*gamma); A(2,2) = gamma;
340 
341  // Fill b:
342  b(0) = zero; b(1) = onehalf; b(2) = onehalf;
343 
344  // Fill c:
345  c(0) = zero; c(1) = gamma; c(2) = one-gamma;
346 
347  int order = 3;
348 
349  auto impTableau = Teuchos::rcp(new RKButcherTableau<Scalar>(
350  "Partition IMEX-RK Implicit Stepper",A,b,c,order,order,order));
351 
352  this->setImplicitTableau(impTableau);
353  }
354  this->setStepperName("IMEX RK ARS 233");
355  this->setStepperType("IMEX RK ARS 233");
356  this->setOrder(3);
357 
358  } else if (stepperType == "General IMEX RK") {
359 
360  if (explicitTableau == Teuchos::null) {
361  // Default Explicit Tableau (i.e., IMEX RK SSP2)
362  auto stepperERK = Teuchos::rcp(new StepperERK_Trapezoidal<Scalar>());
363  this->setExplicitTableau(stepperERK->getTableau());
364  } else {
365  this->setExplicitTableau(explicitTableau);
366  }
367 
368  if (explicitTableau == Teuchos::null) {
369  // Default Implicit Tableau (i.e., IMEX RK SSP2)
370  auto stepperSDIRK = Teuchos::rcp(new StepperSDIRK_2Stage3rdOrder<Scalar>());
371  stepperSDIRK->setGammaType("2nd Order L-stable");
372  this->setImplicitTableau(stepperSDIRK->getTableau());
373  } else {
374  this->setImplicitTableau(implicitTableau);
375  }
376 
377  this->setStepperName("General IMEX RK");
378  this->setStepperType("General IMEX RK");
379  this->setOrder(1);
380 
381  } else {
382  TEUCHOS_TEST_FOR_EXCEPTION( true, std::logic_error,
383  "Error - Not a valid StepperIMEX_RK type! Stepper Type = "
384  << stepperType << "\n"
385  << " Current valid types are: \n"
386  << " 'IMEX RK 1st order\n"
387  << " 'SSP1_111\n"
388  << " 'IMEX RK SSP2' ('SSP2_222_L')\n"
389  << " 'SSP2_222' ('SSP2_222_A')\n"
390  << " 'IMEX RK SSP3' ('SSP3_332')\n"
391  << " 'IMEX RK ARS 233' ('ARS 233')\n"
392  << " 'General IMEX RK'\n");
393  }
394 
395  TEUCHOS_TEST_FOR_EXCEPTION(explicitTableau_==Teuchos::null,
396  std::runtime_error,
397  "Error - StepperIMEX_RK - Explicit tableau is null!");
398  TEUCHOS_TEST_FOR_EXCEPTION(implicitTableau_==Teuchos::null,
399  std::runtime_error,
400  "Error - StepperIMEX_RK - Implicit tableau is null!");
402  explicitTableau_->numStages()!=implicitTableau_->numStages(),
403  std::runtime_error,
404  "Error - StepperIMEX_RK - Number of stages do not match!\n"
405  << " Explicit tableau = " << explicitTableau_->description() << "\n"
406  << " number of stages = " << explicitTableau_->numStages() << "\n"
407  << " Implicit tableau = " << implicitTableau_->description() << "\n"
408  << " number of stages = " << implicitTableau_->numStages() << "\n");
409 
410  this->isInitialized_ = false;
411 }
412 
413 
414 template<class Scalar>
415 void
418  std::string stepperType)
419 {
420  using Teuchos::RCP;
421  if (stepperType == "") {
422  if (pl == Teuchos::null)
423  stepperType = "IMEX RK SSP2";
424  else
425  stepperType = pl->get<std::string>("Stepper Type", "IMEX RK SSP2");
426  }
427 
428  if (stepperType != "General IMEX RK") {
429  this->setTableaus(stepperType);
430  } else {
431  if (pl != Teuchos::null) {
434  if (pl->isSublist("IMEX-RK Explicit Stepper")) {
435  RCP<Teuchos::ParameterList> explicitPL = Teuchos::rcp(
436  new Teuchos::ParameterList(pl->sublist("IMEX-RK Explicit Stepper")));
437  auto sf = Teuchos::rcp(new StepperFactory<Scalar>());
438  auto stepperTemp = sf->createStepper(explicitPL, Teuchos::null);
439  auto stepperERK = Teuchos::rcp_dynamic_cast<StepperExplicitRK<Scalar> > (
440  stepperTemp,true);
441  TEUCHOS_TEST_FOR_EXCEPTION(stepperERK == Teuchos::null, std::logic_error,
442  "Error - The explicit component of a general IMEX RK stepper was not specified as an ExplicitRK stepper");
443  explicitTableau = stepperERK->getTableau();
444  }
445 
446  if (pl->isSublist("IMEX-RK Implicit Stepper")) {
447  RCP<Teuchos::ParameterList> implicitPL = Teuchos::rcp(
448  new Teuchos::ParameterList(pl->sublist("IMEX-RK Implicit Stepper")));
449  auto sf = Teuchos::rcp(new StepperFactory<Scalar>());
450  auto stepperTemp = sf->createStepper(implicitPL, Teuchos::null);
451  auto stepperDIRK = Teuchos::rcp_dynamic_cast<StepperDIRK<Scalar> > (
452  stepperTemp,true);
453  TEUCHOS_TEST_FOR_EXCEPTION(stepperDIRK == Teuchos::null, std::logic_error,
454  "Error - The implicit component of a general IMEX RK stepper was not specified as an DIRK stepper");
455  implicitTableau = stepperDIRK->getTableau();
456  }
457 
459  !(explicitTableau!=Teuchos::null && implicitTableau!=Teuchos::null), std::logic_error,
460  "Error - A parameter list was used to setup a general IMEX RK stepper, but did not "
461  "specify both an explicit and an implicit tableau!\n");
462 
463  this->setTableaus(stepperType, explicitTableau, implicitTableau);
464  this->setOrder(pl->get<int>("overall order", 1));
465  }
466  }
467 }
468 
469 
470 template<class Scalar>
472  Teuchos::RCP<const RKButcherTableau<Scalar> > explicitTableau)
473 {
474  TEUCHOS_TEST_FOR_EXCEPTION(explicitTableau->isImplicit() == true,
475  std::logic_error,
476  "Error - Received an implicit Tableau for setExplicitTableau()!\n" <<
477  " Tableau = " << explicitTableau->description() << "\n");
478  explicitTableau_ = explicitTableau;
479 
480  this->isInitialized_ = false;
481 }
482 
483 
484 template<class Scalar>
486  Teuchos::RCP<const RKButcherTableau<Scalar> > implicitTableau)
487 {
488  TEUCHOS_TEST_FOR_EXCEPTION( implicitTableau->isDIRK() != true,
489  std::logic_error,
490  "Error - Did not receive a DIRK Tableau for setImplicitTableau()!\n" <<
491  " Tableau = " << implicitTableau->description() << "\n");
492  implicitTableau_ = implicitTableau;
493 
494  this->isInitialized_ = false;
495 }
496 
497 template<class Scalar>
499  const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& appModel)
500 {
501  using Teuchos::RCP;
502  using Teuchos::rcp_const_cast;
503  using Teuchos::rcp_dynamic_cast;
504  RCP<Thyra::ModelEvaluator<Scalar> > ncModel =
505  rcp_const_cast<Thyra::ModelEvaluator<Scalar> > (appModel);
506  RCP<WrapperModelEvaluatorPairIMEX_Basic<Scalar> > modelPairIMEX =
507  rcp_dynamic_cast<WrapperModelEvaluatorPairIMEX_Basic<Scalar> > (ncModel);
508  TEUCHOS_TEST_FOR_EXCEPTION( modelPairIMEX == Teuchos::null, std::logic_error,
509  "Error - StepperIMEX_RK::setModel() was given a ModelEvaluator that\n"
510  " could not be cast to a WrapperModelEvaluatorPairIMEX_Basic!\n"
511  " From: " << appModel << "\n"
512  " To : " << modelPairIMEX << "\n"
513  " Likely have given the wrong ModelEvaluator to this Stepper.\n");
514 
515  setModelPair(modelPairIMEX);
516 
517  TEUCHOS_TEST_FOR_EXCEPTION(this->solver_ == Teuchos::null, std::logic_error,
518  "Error - Solver is not set!\n");
519  this->solver_->setModel(modelPairIMEX);
520 
521  this->isInitialized_ = false;
522 }
523 
524 
530 template<class Scalar>
533  modelPairIMEX)
534 {
536  Teuchos::rcp_dynamic_cast<WrapperModelEvaluatorPairIMEX<Scalar> >(
537  this->wrapperModel_);
538  validExplicitODE (modelPairIMEX->getExplicitModel());
539  validImplicitODE_DAE(modelPairIMEX->getImplicitModel());
540  wrapperModelPairIMEX = modelPairIMEX;
541  wrapperModelPairIMEX->initialize();
542  int expXDim = wrapperModelPairIMEX->getExplicitModel()->get_x_space()->dim();
543  int impXDim = wrapperModelPairIMEX->getImplicitModel()->get_x_space()->dim();
544  TEUCHOS_TEST_FOR_EXCEPTION( expXDim != impXDim, std::logic_error,
545  "Error - \n"
546  " Explicit and Implicit x vectors are incompatible!\n"
547  " Explicit vector dim = " << expXDim << "\n"
548  " Implicit vector dim = " << impXDim << "\n");
549 
550  this->wrapperModel_ = wrapperModelPairIMEX;
551 
552  this->isInitialized_ = false;
553 }
554 
560 template<class Scalar>
562  const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& explicitModel,
563  const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& implicitModel)
564 {
565  validExplicitODE (explicitModel);
566  validImplicitODE_DAE(implicitModel);
567  this->wrapperModel_ = Teuchos::rcp(
569  explicitModel, implicitModel));
570 
571  this->isInitialized_ = false;
572 }
573 
574 
575 template<class Scalar>
577 {
578  TEUCHOS_TEST_FOR_EXCEPTION( this->wrapperModel_ == Teuchos::null,
579  std::logic_error,
580  "Error - Need to set the model, setModel(), before calling "
581  "StepperIMEX_RK::initialize()\n");
582 
583  // Initialize the stage vectors
584  const int numStages = explicitTableau_->numStages();
585  stageF_.resize(numStages);
586  stageG_.resize(numStages);
587  for(int i=0; i < numStages; i++) {
588  stageF_[i] = Thyra::createMember(this->wrapperModel_->get_f_space());
589  stageG_[i] = Thyra::createMember(this->wrapperModel_->get_f_space());
590  assign(stageF_[i].ptr(), Teuchos::ScalarTraits<Scalar>::zero());
591  assign(stageG_[i].ptr(), Teuchos::ScalarTraits<Scalar>::zero());
592  }
593 
594  xTilde_ = Thyra::createMember(this->wrapperModel_->get_x_space());
595  assign(xTilde_.ptr(), Teuchos::ScalarTraits<Scalar>::zero());
596 
598 }
599 
600 
601 template<class Scalar>
603  const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
604 {
605  using Teuchos::RCP;
606 
607  int numStates = solutionHistory->getNumStates();
608 
609  TEUCHOS_TEST_FOR_EXCEPTION(numStates < 1, std::logic_error,
610  "Error - setInitialConditions() needs at least one SolutionState\n"
611  " to set the initial condition. Number of States = " << numStates);
612 
613  if (numStates > 1) {
614  RCP<Teuchos::FancyOStream> out = this->getOStream();
615  Teuchos::OSTab ostab(out,1,"StepperIMEX_RK::setInitialConditions()");
616  *out << "Warning -- SolutionHistory has more than one state!\n"
617  << "Setting the initial conditions on the currentState.\n"<<std::endl;
618  }
619 
620  RCP<SolutionState<Scalar> > initialState = solutionHistory->getCurrentState();
621  RCP<Thyra::VectorBase<Scalar> > x = initialState->getX();
622 
623  // Use x from inArgs as ICs, if needed.
624  auto inArgs = this->wrapperModel_->getNominalValues();
625  if (x == Teuchos::null) {
626  TEUCHOS_TEST_FOR_EXCEPTION( (x == Teuchos::null) &&
627  (inArgs.get_x() == Teuchos::null), std::logic_error,
628  "Error - setInitialConditions() needs the ICs from the SolutionHistory\n"
629  " or getNominalValues()!\n");
630 
631  x = Teuchos::rcp_const_cast<Thyra::VectorBase<Scalar> >(inArgs.get_x());
632  initialState->setX(x);
633  }
634 
635  // Perform IC Consistency
636  std::string icConsistency = this->getICConsistency();
637  TEUCHOS_TEST_FOR_EXCEPTION(icConsistency != "None", std::logic_error,
638  "Error - setInitialConditions() requested a consistency of '"
639  << icConsistency << "'.\n"
640  " But only 'None' is available for IMEX-RK!\n");
641 
642  TEUCHOS_TEST_FOR_EXCEPTION( this->getUseFSAL(), std::logic_error,
643  "Error - The First-Same-As-Last (FSAL) principle is not "
644  << "available for IMEX-RK. Set useFSAL=false.\n");
645 }
646 
647 
648 template <typename Scalar>
650  const Teuchos::RCP<const Thyra::VectorBase<Scalar> > & X,
651  Scalar time, Scalar stepSize, Scalar stageNumber,
652  const Teuchos::RCP<Thyra::VectorBase<Scalar> > & G) const
653 {
654  typedef Thyra::ModelEvaluatorBase MEB;
656  Teuchos::rcp_dynamic_cast<WrapperModelEvaluatorPairIMEX<Scalar> >(
657  this->wrapperModel_);
658  MEB::InArgs<Scalar> inArgs = wrapperModelPairIMEX->getInArgs();
659  inArgs.set_x(X);
660  if (inArgs.supports(MEB::IN_ARG_t)) inArgs.set_t(time);
661  if (inArgs.supports(MEB::IN_ARG_step_size)) inArgs.set_step_size(stepSize);
662  if (inArgs.supports(MEB::IN_ARG_stage_number))
663  inArgs.set_stage_number(stageNumber);
664 
665  // For model evaluators whose state function f(x, x_dot, t) describes
666  // an implicit ODE, and which accept an optional x_dot input argument,
667  // make sure the latter is set to null in order to request the evaluation
668  // of a state function corresponding to the explicit ODE formulation
669  // x_dot = f(x, t)
670  if (inArgs.supports(MEB::IN_ARG_x_dot)) inArgs.set_x_dot(Teuchos::null);
671 
672  MEB::OutArgs<Scalar> outArgs = wrapperModelPairIMEX->getOutArgs();
673  outArgs.set_f(G);
674 
675  wrapperModelPairIMEX->getImplicitModel()->evalModel(inArgs,outArgs);
676  Thyra::Vt_S(G.ptr(), -1.0);
677 }
678 
679 
680 template <typename Scalar>
682  const Teuchos::RCP<const Thyra::VectorBase<Scalar> > & X,
683  Scalar time, Scalar stepSize, Scalar stageNumber,
684  const Teuchos::RCP<Thyra::VectorBase<Scalar> > & F) const
685 {
686  typedef Thyra::ModelEvaluatorBase MEB;
687 
689  Teuchos::rcp_dynamic_cast<WrapperModelEvaluatorPairIMEX<Scalar> >(
690  this->wrapperModel_);
691  MEB::InArgs<Scalar> inArgs =
692  wrapperModelPairIMEX->getExplicitModel()->createInArgs();
693  inArgs.set_x(X);
694  if (inArgs.supports(MEB::IN_ARG_t)) inArgs.set_t(time);
695  if (inArgs.supports(MEB::IN_ARG_step_size)) inArgs.set_step_size(stepSize);
696  if (inArgs.supports(MEB::IN_ARG_stage_number))
697  inArgs.set_stage_number(stageNumber);
698 
699  // For model evaluators whose state function f(x, x_dot, t) describes
700  // an implicit ODE, and which accept an optional x_dot input argument,
701  // make sure the latter is set to null in order to request the evaluation
702  // of a state function corresponding to the explicit ODE formulation
703  // x_dot = f(x, t)
704  if (inArgs.supports(MEB::IN_ARG_x_dot)) inArgs.set_x_dot(Teuchos::null);
705 
706  MEB::OutArgs<Scalar> outArgs =
707  wrapperModelPairIMEX->getExplicitModel()->createOutArgs();
708  outArgs.set_f(F);
709 
710  wrapperModelPairIMEX->getExplicitModel()->evalModel(inArgs, outArgs);
711  Thyra::Vt_S(F.ptr(), -1.0);
712 }
713 
714 
715 template<class Scalar>
717  const Teuchos::RCP<SolutionHistory<Scalar> >& solutionHistory)
718 {
719  this->checkInitialized();
720 
721  using Teuchos::RCP;
724 
725  TEMPUS_FUNC_TIME_MONITOR("Tempus::StepperIMEX_RK::takeStep()");
726  {
727  TEUCHOS_TEST_FOR_EXCEPTION(solutionHistory->getNumStates() < 2,
728  std::logic_error,
729  "Error - StepperIMEX_RK<Scalar>::takeStep(...)\n"
730  "Need at least two SolutionStates for IMEX_RK.\n"
731  " Number of States = " << solutionHistory->getNumStates() << "\n"
732  "Try setting in \"Solution History\" \"Storage Type\" = \"Undo\"\n"
733  " or \"Storage Type\" = \"Static\" and \"Storage Limit\" = \"2\"\n");
734 
735  RCP<SolutionState<Scalar> > currentState=solutionHistory->getCurrentState();
736  RCP<SolutionState<Scalar> > workingState=solutionHistory->getWorkingState();
737  const Scalar dt = workingState->getTimeStep();
738  const Scalar time = currentState->getTime();
739 
740  const int numStages = explicitTableau_->numStages();
741  const SerialDenseMatrix<int,Scalar> & AHat = explicitTableau_->A();
742  const SerialDenseVector<int,Scalar> & bHat = explicitTableau_->b();
743  const SerialDenseVector<int,Scalar> & cHat = explicitTableau_->c();
744  const SerialDenseMatrix<int,Scalar> & A = implicitTableau_->A();
745  const SerialDenseVector<int,Scalar> & b = implicitTableau_->b();
746  const SerialDenseVector<int,Scalar> & c = implicitTableau_->c();
747 
748  bool pass = true;
749  Thyra::assign(workingState->getX().ptr(), *(currentState->getX()));
750 
751  RCP<StepperIMEX_RK<Scalar> > thisStepper = Teuchos::rcpFromRef(*this);
752  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
754 
755  // Compute stage solutions
756  for (int i = 0; i < numStages; ++i) {
757  this->setStageNumber(i);
758  Thyra::assign(xTilde_.ptr(), *(currentState->getX()));
759  for (int j = 0; j < i; ++j) {
760  if (AHat(i,j) != Teuchos::ScalarTraits<Scalar>::zero())
761  Thyra::Vp_StV(xTilde_.ptr(), -dt*AHat(i,j), *(stageF_[j]));
762  if (A (i,j) != Teuchos::ScalarTraits<Scalar>::zero())
763  Thyra::Vp_StV(xTilde_.ptr(), -dt*A (i,j), *(stageG_[j]));
764  }
765 
766  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
768 
769  Scalar ts = time + c(i)*dt;
770  Scalar tHats = time + cHat(i)*dt;
771  if (A(i,i) == Teuchos::ScalarTraits<Scalar>::zero()) {
772  // Explicit stage for the ImplicitODE_DAE
773  bool isNeeded = false;
774  for (int k=i+1; k<numStages; ++k) if (A(k,i) != 0.0) isNeeded = true;
775  if (b(i) != 0.0) isNeeded = true;
776  if (isNeeded == false) {
777  // stageG_[i] is not needed.
778  assign(stageG_[i].ptr(), Teuchos::ScalarTraits<Scalar>::zero());
779  } else {
780  Thyra::assign(workingState->getX().ptr(), *xTilde_);
781  evalImplicitModelExplicitly(workingState->getX(), ts, dt, i, stageG_[i]);
782  }
783  } else {
784  // Implicit stage for the ImplicitODE_DAE
785  const Scalar alpha = Scalar(1.0)/(dt*A(i,i));
786  const Scalar beta = Scalar(1.0);
787 
788  // Setup TimeDerivative
791  alpha, xTilde_.getConst()));
792 
794  timeDer, dt, alpha, beta, SOLVE_FOR_X, i));
795 
796  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
798 
799  const Thyra::SolveStatus<Scalar> sStatus =
800  this->solveImplicitODE(workingState->getX(), stageG_[i], ts, p);
801 
802  if (sStatus.solveStatus != Thyra::SOLVE_STATUS_CONVERGED) pass = false;
803 
804  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
806 
807  // Update contributions to stage values
808  Thyra::V_StVpStV(stageG_[i].ptr(), -alpha, *workingState->getX(), alpha, *xTilde_);
809  }
810 
811  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
813  evalExplicitModel(workingState->getX(), tHats, dt, i, stageF_[i]);
814  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
816  }
817 
818  // reset the stage number
819  this->setStageNumber(-1);
820 
821  // Sum for solution: x_n = x_n-1 - dt*Sum{ bHat(i)*f(i) + b(i)*g(i) }
822  Thyra::assign((workingState->getX()).ptr(), *(currentState->getX()));
823  for (int i=0; i < numStages; ++i) {
824  if (bHat(i) != Teuchos::ScalarTraits<Scalar>::zero())
825  Thyra::Vp_StV((workingState->getX()).ptr(), -dt*bHat(i), *(stageF_[i]));
827  Thyra::Vp_StV((workingState->getX()).ptr(), -dt*b (i), *(stageG_[i]));
828  }
829 
830  if (pass == true) workingState->setSolutionStatus(Status::PASSED);
831  else workingState->setSolutionStatus(Status::FAILED);
832  workingState->setOrder(this->getOrder());
833  workingState->computeNorms(currentState);
834  this->stepperRKAppAction_->execute(solutionHistory, thisStepper,
836  }
837  return;
838 }
839 
846 template<class Scalar>
850 {
852  rcp(new StepperState<Scalar>(this->getStepperType()));
853  return stepperState;
854 }
855 
856 
857 template<class Scalar>
860  const Teuchos::EVerbosityLevel verbLevel) const
861 {
862  out << std::endl;
863  Stepper<Scalar>::describe(out, verbLevel);
864  StepperImplicit<Scalar>::describe(out, verbLevel);
865 
866  out << "--- StepperIMEX_RK_Partition ---\n";
867  out << " explicitTableau_ = " << explicitTableau_ << std::endl;
868  if (verbLevel == Teuchos::VERB_HIGH)
869  explicitTableau_->describe(out, verbLevel);
870  out << " implicitTableau_ = " << implicitTableau_ << std::endl;
871  if (verbLevel == Teuchos::VERB_HIGH)
872  implicitTableau_->describe(out, verbLevel);
873  out << " xTilde_ = " << xTilde_ << std::endl;
874  out << " stageF_.size() = " << stageF_.size() << std::endl;
875  int numStages = stageF_.size();
876  for (int i=0; i<numStages; ++i)
877  out << " stageF_["<<i<<"] = " << stageF_[i] << std::endl;
878  out << " stageG_.size() = " << stageG_.size() << std::endl;
879  numStages = stageG_.size();
880  for (int i=0; i<numStages; ++i)
881  out << " stageG_["<<i<<"] = " << stageG_[i] << std::endl;
882  out << " stepperRKAppAction_= " << this->stepperRKAppAction_ << std::endl;
883  out << " order_ = " << order_ << std::endl;
884  out << "--------------------------------" << std::endl;
885 }
886 
887 
888 template<class Scalar>
890 {
891  bool isValidSetup = true;
892 
893  if ( !Stepper<Scalar>::isValidSetup(out) ) isValidSetup = false;
894 
896  Teuchos::rcp_dynamic_cast<WrapperModelEvaluatorPairIMEX<Scalar> >(
897  this->wrapperModel_);
898 
899  if ( wrapperModelPairIMEX->getExplicitModel() == Teuchos::null) {
900  isValidSetup = false;
901  out << "The explicit ModelEvaluator is not set!\n";
902  }
903 
904  if ( wrapperModelPairIMEX->getImplicitModel() == Teuchos::null) {
905  isValidSetup = false;
906  out << "The implicit ModelEvaluator is not set!\n";
907  }
908 
909  if (this->wrapperModel_ == Teuchos::null) {
910  isValidSetup = false;
911  out << "The wrapper ModelEvaluator is not set!\n";
912  }
913 
914  if (this->stepperRKAppAction_ == Teuchos::null) {
915  isValidSetup = false;
916  out << "The AppAction is not set!\n";
917  }
918 
919  if ( explicitTableau_ == Teuchos::null ) {
920  isValidSetup = false;
921  out << "The explicit tableau is not set!\n";
922  }
923 
924  if ( implicitTableau_ == Teuchos::null ) {
925  isValidSetup = false;
926  out << "The implicit tableau is not set!\n";
927  }
928 
929  return isValidSetup;
930 }
931 
932 
933 template<class Scalar>
936 {
937  auto pl = this->getValidParametersBasicImplicit();
938  pl->template set<int>("overall order", this->getOrder());
939 
940  auto explicitStepper = Teuchos::rcp(new StepperERK_General<Scalar>());
941  explicitStepper->setTableau(
942  explicitTableau_->A(), explicitTableau_->b(), explicitTableau_->c(),
943  explicitTableau_->order(), explicitTableau_->orderMin(),
944  explicitTableau_->orderMax(), explicitTableau_->bstar() );
945  pl->set("IMEX-RK Explicit Stepper", *explicitStepper->getValidParameters());
946 
947  auto implicitStepper = Teuchos::rcp(new StepperERK_General<Scalar>());
948  implicitStepper->setTableau(
949  implicitTableau_->A(), implicitTableau_->b(), implicitTableau_->c(),
950  implicitTableau_->order(), implicitTableau_->orderMin(),
951  implicitTableau_->orderMax(), implicitTableau_->bstar() );
952  pl->set("IMEX-RK Implicit Stepper", *implicitStepper->getValidParameters());
953 
954  return pl;
955 }
956 
957 
958 // Nonmember constructor - ModelEvaluator and ParameterList
959 // ------------------------------------------------------------------------
960 template<class Scalar>
963  const Teuchos::RCP<const Thyra::ModelEvaluator<Scalar> >& model,
964  std::string stepperType,
966 {
967 
968  auto stepper = Teuchos::rcp(new StepperIMEX_RK<Scalar>(stepperType));
969  stepper->setStepperImplicitValues(pl);
970  stepper->setTableaus(pl, stepperType);
971 
972  if (model != Teuchos::null) {
973  stepper->setModel(model);
974  stepper->initialize();
975  }
976 
977  return stepper;
978 }
979 
980 
981 } // namespace Tempus
982 #endif // Tempus_StepperIMEX_RK_impl_hpp
virtual void describe(Teuchos::FancyOStream &out, const Teuchos::EVerbosityLevel verbLevel) const
virtual void setImplicitTableau(Teuchos::RCP< const RKButcherTableau< Scalar > > implicitTableau)
Set the implicit tableau from tableau.
Explicit Runge-Kutta time stepper.
T & get(const std::string &name, T def_value)
General Explicit Runge-Kutta Butcher Tableau.
Teuchos::RCP< const Teuchos::ParameterList > getValidParameters() const
ModelEvaluator pair for implicit and explicit (IMEX) evaulations.
#define TEUCHOS_TEST_FOR_EXCEPTION(throw_exception_test, Exception, msg)
Implicit-Explicit Runge-Kutta (IMEX-RK) time stepper.
virtual void setExplicitTableau(Teuchos::RCP< const RKButcherTableau< Scalar > > explicitTableau)
Set the explicit tableau from tableau.
ModelEvaluator pair for implicit and explicit (IMEX) evaluations.
void validExplicitODE(const Teuchos::RCP< const Thyra::ModelEvaluator< Scalar > > &model)
Validate that the model supports explicit ODE evaluation, f(x,t) [=xdot].
virtual void initialize()
Initialize after construction and changing input parameters.
StepperIMEX_RK(std::string stepperType="IMEX RK SSP2")
Default constructor.
Thyra Base interface for time steppers.
virtual void setModelPair(const Teuchos::RCP< WrapperModelEvaluatorPairIMEX_Basic< Scalar > > &mePair)
Create WrapperModelPairIMEX from user-supplied ModelEvaluator pair.
Diagonally Implicit Runge-Kutta (DIRK) time stepper.
StepperState is a simple class to hold state information about the stepper.
TEUCHOS_DEPRECATED RCP< T > rcp(T *p, Dealloc_T dealloc, bool owns_mem)
virtual void describe(Teuchos::FancyOStream &out, const Teuchos::EVerbosityLevel verbLevel) const
Application Action for StepperRKBase.
bool isSublist(const std::string &name) const
virtual void takeStep(const Teuchos::RCP< SolutionHistory< Scalar > > &solutionHistory)
Take the specified timestep, dt, and return true if successful.
virtual void initialize()
Initialize during construction and after changing input parameters.
void evalExplicitModel(const Teuchos::RCP< const Thyra::VectorBase< Scalar > > &X, Scalar time, Scalar stepSize, Scalar stageNumber, const Teuchos::RCP< Thyra::VectorBase< Scalar > > &F) const
virtual void setTableaus(std::string stepperType="", Teuchos::RCP< const RKButcherTableau< Scalar > > explicitTableau=Teuchos::null, Teuchos::RCP< const RKButcherTableau< Scalar > > implicitTableau=Teuchos::null)
Set both the explicit and implicit tableau from ParameterList.
SolutionHistory is basically a container of SolutionStates. SolutionHistory maintains a collection of...
ESolveStatus solveStatus
virtual bool isValidSetup(Teuchos::FancyOStream &out) const
void evalImplicitModelExplicitly(const Teuchos::RCP< const Thyra::VectorBase< Scalar > > &X, Scalar time, Scalar stepSize, Scalar stageNumber, const Teuchos::RCP< Thyra::VectorBase< Scalar > > &G) const
virtual void setInitialConditions(const Teuchos::RCP< SolutionHistory< Scalar > > &solutionHistory)
Set the initial conditions and make them consistent.
virtual Teuchos::RCP< Tempus::StepperState< Scalar > > getDefaultStepperState()
Provide a StepperState to the SolutionState. This Stepper does not have any special state data...
ParameterList & sublist(const std::string &name, bool mustAlreadyExist=false, const std::string &docString="")
Time-derivative interface for IMEX RK.
virtual void describe(Teuchos::FancyOStream &out, const Teuchos::EVerbosityLevel verbLevel) const
virtual void setModel(const Teuchos::RCP< const Thyra::ModelEvaluator< Scalar > > &appModel)
Teuchos::RCP< StepperIMEX_RK< Scalar > > createStepperIMEX_RK(const Teuchos::RCP< const Thyra::ModelEvaluator< Scalar > > &model, std::string stepperType, Teuchos::RCP< Teuchos::ParameterList > pl)
Nonmember constructor - ModelEvaluator and ParameterList.
void validImplicitODE_DAE(const Teuchos::RCP< const Thyra::ModelEvaluator< Scalar > > &model)
Validate ME supports implicit ODE/DAE evaluation, f(xdot,x,t) [= 0].
Solve for x and determine xDot from x.