xref: /petsc/src/ts/impls/implicit/theta/theta.c (revision 82ad9101c7b8cc0cb17c066decc247deb4a8323b)
1316643e7SJed Brown /*
2316643e7SJed Brown   Code for timestepping with implicit Theta method
3316643e7SJed Brown */
4af0996ceSBarry Smith #include <petsc/private/tsimpl.h>                /*I   "petscts.h"   I*/
5a055c8caSBarry Smith #include <petscsnes.h>
61e25c274SJed Brown #include <petscdm.h>
73c54f92cSHong Zhang #include <petscmat.h>
8316643e7SJed Brown 
9316643e7SJed Brown typedef struct {
10715f1b00SHong Zhang   /* context for time stepping */
111566a47fSLisandro Dalcin   PetscReal    stage_time;
120fd10508SMatthew Knepley   Vec          X0,X,Xdot;                /* Storage for stage solution, u^n + dt a_{11} k_1, and time derivative u^{n+1}_t */
131566a47fSLisandro Dalcin   Vec          affine;                   /* Affine vector needed for residual at beginning of step in endpoint formulation */
141566a47fSLisandro Dalcin   PetscReal    Theta;
151a352fa8SHong Zhang   PetscReal    shift;                    /* Shift parameter for SNES Jacobian, used by forward, TLM and adjoint */
161566a47fSLisandro Dalcin   PetscInt     order;
171566a47fSLisandro Dalcin   PetscBool    endpoint;
181566a47fSLisandro Dalcin   PetscBool    extrapolate;
19715f1b00SHong Zhang   TSStepStatus status;
201a352fa8SHong Zhang   Vec          VecCostIntegral0;         /* Backup for roll-backs due to events, used by cost integral */
211a352fa8SHong Zhang   PetscReal    ptime0;                   /* Backup for ts->ptime, the start time of current time step, used by TLM and cost integral */
221a352fa8SHong Zhang   PetscReal    time_step0;               /* Backup for ts->timestep, the step size of current time step, used by TLM and cost integral*/
231566a47fSLisandro Dalcin 
24715f1b00SHong Zhang   /* context for sensitivity analysis */
25022c081aSHong Zhang   PetscInt     num_tlm;                  /* Total number of tangent linear equations */
26b5e0532dSHong Zhang   Vec          *VecsDeltaLam;            /* Increment of the adjoint sensitivity w.r.t IC at stage */
27b5e0532dSHong Zhang   Vec          *VecsDeltaMu;             /* Increment of the adjoint sensitivity w.r.t P at stage */
2813b1b0ffSHong Zhang   Vec          *VecsSensiTemp;           /* Vector to be multiplied with Jacobian transpose */
2913b1b0ffSHong Zhang   Mat          MatDeltaFwdSensip;        /* Increment of the forward sensitivity at stage */
30b5b4017aSHong Zhang   Vec          VecDeltaFwdSensipCol;     /* Working vector for holding one column of the sensitivity matrix */
3113b1b0ffSHong Zhang   Mat          MatFwdSensip0;            /* backup for roll-backs due to events */
327207e0fdSHong Zhang   Mat          MatIntegralSensipTemp;    /* Working vector for forward integral sensitivity */
337207e0fdSHong Zhang   Mat          MatIntegralSensip0;       /* backup for roll-backs due to events */
34b5b4017aSHong Zhang   Vec          *VecsDeltaLam2;           /* Increment of the 2nd-order adjoint sensitivity w.r.t IC at stage */
35b5b4017aSHong Zhang   Vec          *VecsDeltaMu2;            /* Increment of the 2nd-order adjoint sensitivity w.r.t P at stage */
36b5b4017aSHong Zhang   Vec          *VecsSensi2Temp;          /* Working vectors that holds the residual for the second-order adjoint */
37b5b4017aSHong Zhang   Vec          *VecsAffine;              /* Working vectors to store residuals */
38715f1b00SHong Zhang   /* context for error estimation */
391566a47fSLisandro Dalcin   Vec          vec_sol_prev;
401566a47fSLisandro Dalcin   Vec          vec_lte_work;
41316643e7SJed Brown } TS_Theta;
42316643e7SJed Brown 
437445fe48SJed Brown static PetscErrorCode TSThetaGetX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot)
447445fe48SJed Brown {
457445fe48SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
467445fe48SJed Brown   PetscErrorCode ierr;
477445fe48SJed Brown 
487445fe48SJed Brown   PetscFunctionBegin;
497445fe48SJed Brown   if (X0) {
507445fe48SJed Brown     if (dm && dm != ts->dm) {
510d0b770aSPeter Brune       ierr = DMGetNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr);
527445fe48SJed Brown     } else *X0 = ts->vec_sol;
537445fe48SJed Brown   }
547445fe48SJed Brown   if (Xdot) {
557445fe48SJed Brown     if (dm && dm != ts->dm) {
560d0b770aSPeter Brune       ierr = DMGetNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr);
577445fe48SJed Brown     } else *Xdot = th->Xdot;
587445fe48SJed Brown   }
597445fe48SJed Brown   PetscFunctionReturn(0);
607445fe48SJed Brown }
617445fe48SJed Brown 
620d0b770aSPeter Brune static PetscErrorCode TSThetaRestoreX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot)
630d0b770aSPeter Brune {
640d0b770aSPeter Brune   PetscErrorCode ierr;
650d0b770aSPeter Brune 
660d0b770aSPeter Brune   PetscFunctionBegin;
670d0b770aSPeter Brune   if (X0) {
680d0b770aSPeter Brune     if (dm && dm != ts->dm) {
690d0b770aSPeter Brune       ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr);
700d0b770aSPeter Brune     }
710d0b770aSPeter Brune   }
720d0b770aSPeter Brune   if (Xdot) {
730d0b770aSPeter Brune     if (dm && dm != ts->dm) {
740d0b770aSPeter Brune       ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr);
750d0b770aSPeter Brune     }
760d0b770aSPeter Brune   }
770d0b770aSPeter Brune   PetscFunctionReturn(0);
780d0b770aSPeter Brune }
790d0b770aSPeter Brune 
807445fe48SJed Brown static PetscErrorCode DMCoarsenHook_TSTheta(DM fine,DM coarse,void *ctx)
817445fe48SJed Brown {
827445fe48SJed Brown   PetscFunctionBegin;
837445fe48SJed Brown   PetscFunctionReturn(0);
847445fe48SJed Brown }
857445fe48SJed Brown 
867445fe48SJed Brown static PetscErrorCode DMRestrictHook_TSTheta(DM fine,Mat restrct,Vec rscale,Mat inject,DM coarse,void *ctx)
877445fe48SJed Brown {
887445fe48SJed Brown   TS             ts = (TS)ctx;
897445fe48SJed Brown   PetscErrorCode ierr;
907445fe48SJed Brown   Vec            X0,Xdot,X0_c,Xdot_c;
917445fe48SJed Brown 
927445fe48SJed Brown   PetscFunctionBegin;
937445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr);
947445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr);
957445fe48SJed Brown   ierr = MatRestrict(restrct,X0,X0_c);CHKERRQ(ierr);
967445fe48SJed Brown   ierr = MatRestrict(restrct,Xdot,Xdot_c);CHKERRQ(ierr);
977445fe48SJed Brown   ierr = VecPointwiseMult(X0_c,rscale,X0_c);CHKERRQ(ierr);
987445fe48SJed Brown   ierr = VecPointwiseMult(Xdot_c,rscale,Xdot_c);CHKERRQ(ierr);
990d0b770aSPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr);
1000d0b770aSPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr);
1017445fe48SJed Brown   PetscFunctionReturn(0);
1027445fe48SJed Brown }
1037445fe48SJed Brown 
104258e1594SPeter Brune static PetscErrorCode DMSubDomainHook_TSTheta(DM dm,DM subdm,void *ctx)
105258e1594SPeter Brune {
106258e1594SPeter Brune   PetscFunctionBegin;
107258e1594SPeter Brune   PetscFunctionReturn(0);
108258e1594SPeter Brune }
109258e1594SPeter Brune 
110258e1594SPeter Brune static PetscErrorCode DMSubDomainRestrictHook_TSTheta(DM dm,VecScatter gscat,VecScatter lscat,DM subdm,void *ctx)
111258e1594SPeter Brune {
112258e1594SPeter Brune   TS             ts = (TS)ctx;
113258e1594SPeter Brune   PetscErrorCode ierr;
114258e1594SPeter Brune   Vec            X0,Xdot,X0_sub,Xdot_sub;
115258e1594SPeter Brune 
116258e1594SPeter Brune   PetscFunctionBegin;
117258e1594SPeter Brune   ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
118258e1594SPeter Brune   ierr = TSThetaGetX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr);
119258e1594SPeter Brune 
120258e1594SPeter Brune   ierr = VecScatterBegin(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
121258e1594SPeter Brune   ierr = VecScatterEnd(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
122258e1594SPeter Brune 
123258e1594SPeter Brune   ierr = VecScatterBegin(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
124258e1594SPeter Brune   ierr = VecScatterEnd(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
125258e1594SPeter Brune 
126258e1594SPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
127258e1594SPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr);
128258e1594SPeter Brune   PetscFunctionReturn(0);
129258e1594SPeter Brune }
130258e1594SPeter Brune 
131022c081aSHong Zhang static PetscErrorCode TSThetaEvaluateCostIntegral(TS ts)
132022c081aSHong Zhang {
133022c081aSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
134cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
135022c081aSHong Zhang   PetscErrorCode ierr;
136022c081aSHong Zhang 
137022c081aSHong Zhang   PetscFunctionBegin;
138022c081aSHong Zhang   if (th->endpoint) {
139022c081aSHong Zhang     /* Evolve ts->vec_costintegral to compute integrals */
140022c081aSHong Zhang     if (th->Theta!=1.0) {
1411a352fa8SHong Zhang       ierr = TSComputeRHSFunction(quadts,th->ptime0,th->X0,ts->vec_costintegrand);CHKERRQ(ierr);
1421a352fa8SHong Zhang       ierr = VecAXPY(quadts->vec_sol,th->time_step0*(1.0-th->Theta),ts->vec_costintegrand);CHKERRQ(ierr);
143022c081aSHong Zhang     }
144cd4cee2dSHong Zhang     ierr = TSComputeRHSFunction(quadts,ts->ptime,ts->vec_sol,ts->vec_costintegrand);CHKERRQ(ierr);
1451a352fa8SHong Zhang     ierr = VecAXPY(quadts->vec_sol,th->time_step0*th->Theta,ts->vec_costintegrand);CHKERRQ(ierr);
146022c081aSHong Zhang   } else {
147cd4cee2dSHong Zhang     ierr = TSComputeRHSFunction(quadts,th->stage_time,th->X,ts->vec_costintegrand);CHKERRQ(ierr);
1481a352fa8SHong Zhang     ierr = VecAXPY(quadts->vec_sol,th->time_step0,ts->vec_costintegrand);CHKERRQ(ierr);
149022c081aSHong Zhang   }
150022c081aSHong Zhang   PetscFunctionReturn(0);
151022c081aSHong Zhang }
152022c081aSHong Zhang 
153b1cb36f3SHong Zhang static PetscErrorCode TSForwardCostIntegral_Theta(TS ts)
154b1cb36f3SHong Zhang {
155b1cb36f3SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
156cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
157b1cb36f3SHong Zhang   PetscErrorCode ierr;
158b1cb36f3SHong Zhang 
159b1cb36f3SHong Zhang   PetscFunctionBegin;
160b1cb36f3SHong Zhang   /* backup cost integral */
161cd4cee2dSHong Zhang   ierr = VecCopy(quadts->vec_sol,th->VecCostIntegral0);CHKERRQ(ierr);
162022c081aSHong Zhang   ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr);
163b1cb36f3SHong Zhang   PetscFunctionReturn(0);
164b1cb36f3SHong Zhang }
165b1cb36f3SHong Zhang 
166b1cb36f3SHong Zhang static PetscErrorCode TSAdjointCostIntegral_Theta(TS ts)
167b1cb36f3SHong Zhang {
1681a352fa8SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
169b1cb36f3SHong Zhang   PetscErrorCode ierr;
170b1cb36f3SHong Zhang 
171b1cb36f3SHong Zhang   PetscFunctionBegin;
1721a352fa8SHong Zhang   /* Like TSForwardCostIntegral(), the adjoint cost integral evaluation relies on ptime0 and time_step0. */
1731a352fa8SHong Zhang   th->ptime0     = ts->ptime + ts->time_step;
1741a352fa8SHong Zhang   th->time_step0 = -ts->time_step;
175022c081aSHong Zhang   ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr);
17624655328SShri   PetscFunctionReturn(0);
17724655328SShri }
17824655328SShri 
179470880abSPatrick Sanan static PetscErrorCode TSTheta_SNESSolve(TS ts,Vec b,Vec x)
1801566a47fSLisandro Dalcin {
1811566a47fSLisandro Dalcin   PetscInt       nits,lits;
1821566a47fSLisandro Dalcin   PetscErrorCode ierr;
1831566a47fSLisandro Dalcin 
1841566a47fSLisandro Dalcin   PetscFunctionBegin;
1851566a47fSLisandro Dalcin   ierr = SNESSolve(ts->snes,b,x);CHKERRQ(ierr);
1861566a47fSLisandro Dalcin   ierr = SNESGetIterationNumber(ts->snes,&nits);CHKERRQ(ierr);
1871566a47fSLisandro Dalcin   ierr = SNESGetLinearSolveIterations(ts->snes,&lits);CHKERRQ(ierr);
1881566a47fSLisandro Dalcin   ts->snes_its += nits; ts->ksp_its += lits;
1891566a47fSLisandro Dalcin   PetscFunctionReturn(0);
1901566a47fSLisandro Dalcin }
1911566a47fSLisandro Dalcin 
192193ac0bcSJed Brown static PetscErrorCode TSStep_Theta(TS ts)
193316643e7SJed Brown {
194316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1951566a47fSLisandro Dalcin   PetscInt       rejections = 0;
1964957b756SLisandro Dalcin   PetscBool      stageok,accept = PETSC_TRUE;
1971566a47fSLisandro Dalcin   PetscReal      next_time_step = ts->time_step;
198051f2191SLisandro Dalcin   PetscErrorCode ierr;
199316643e7SJed Brown 
200316643e7SJed Brown   PetscFunctionBegin;
2011566a47fSLisandro Dalcin   if (!ts->steprollback) {
2022ffb9264SLisandro Dalcin     if (th->vec_sol_prev) { ierr = VecCopy(th->X0,th->vec_sol_prev);CHKERRQ(ierr); }
2033b1890cdSShri Abhyankar     ierr = VecCopy(ts->vec_sol,th->X0);CHKERRQ(ierr);
2041566a47fSLisandro Dalcin   }
2051566a47fSLisandro Dalcin 
2061566a47fSLisandro Dalcin   th->status     = TS_STEP_INCOMPLETE;
20799260352SHong Zhang   while (!ts->reason && th->status != TS_STEP_COMPLETE) {
2083e05ceb1SHong Zhang     th->shift      = 1/(th->Theta*ts->time_step);
2091566a47fSLisandro Dalcin     th->stage_time = ts->ptime + (th->endpoint ? (PetscReal)1 : th->Theta)*ts->time_step;
210be5899b3SLisandro Dalcin     ierr = VecCopy(th->X0,th->X);CHKERRQ(ierr);
211fecfb714SLisandro Dalcin     if (th->extrapolate && !ts->steprestart) {
2123e05ceb1SHong Zhang       ierr = VecAXPY(th->X,1/th->shift,th->Xdot);CHKERRQ(ierr);
213be5899b3SLisandro Dalcin     }
214eb284becSJed Brown     if (th->endpoint) { /* This formulation assumes linear time-independent mass matrix */
215eb284becSJed Brown       if (!th->affine) {ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr);}
2161566a47fSLisandro Dalcin       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
2171566a47fSLisandro Dalcin       ierr = TSComputeIFunction(ts,ts->ptime,th->X0,th->Xdot,th->affine,PETSC_FALSE);CHKERRQ(ierr);
2181566a47fSLisandro Dalcin       ierr = VecScale(th->affine,(th->Theta-1)/th->Theta);CHKERRQ(ierr);
2191566a47fSLisandro Dalcin     } else if (th->affine) { /* Just in case th->endpoint is changed between calls to TSStep_Theta() */
2201566a47fSLisandro Dalcin       ierr = VecZeroEntries(th->affine);CHKERRQ(ierr);
221eb284becSJed Brown     }
222be5899b3SLisandro Dalcin     ierr = TSPreStage(ts,th->stage_time);CHKERRQ(ierr);
223470880abSPatrick Sanan     ierr = TSTheta_SNESSolve(ts,th->affine,th->X);CHKERRQ(ierr);
224be5899b3SLisandro Dalcin     ierr = TSPostStage(ts,th->stage_time,0,&th->X);CHKERRQ(ierr);
2251566a47fSLisandro Dalcin     ierr = TSAdaptCheckStage(ts->adapt,ts,th->stage_time,th->X,&stageok);CHKERRQ(ierr);
226fecfb714SLisandro Dalcin     if (!stageok) goto reject_step;
227051f2191SLisandro Dalcin 
228051f2191SLisandro Dalcin     th->status = TS_STEP_PENDING;
2291566a47fSLisandro Dalcin     if (th->endpoint) {
2301566a47fSLisandro Dalcin       ierr = VecCopy(th->X,ts->vec_sol);CHKERRQ(ierr);
2311566a47fSLisandro Dalcin     } else {
2323e05ceb1SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
2331566a47fSLisandro Dalcin       ierr = VecAXPY(ts->vec_sol,ts->time_step,th->Xdot);CHKERRQ(ierr);
2341566a47fSLisandro Dalcin     }
2351566a47fSLisandro Dalcin     ierr = TSAdaptChoose(ts->adapt,ts,ts->time_step,NULL,&next_time_step,&accept);CHKERRQ(ierr);
2361566a47fSLisandro Dalcin     th->status = accept ? TS_STEP_COMPLETE : TS_STEP_INCOMPLETE;
2371566a47fSLisandro Dalcin     if (!accept) {
2381566a47fSLisandro Dalcin       ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr);
239be5899b3SLisandro Dalcin       ts->time_step = next_time_step;
240be5899b3SLisandro Dalcin       goto reject_step;
241051f2191SLisandro Dalcin     }
2423b1890cdSShri Abhyankar 
243715f1b00SHong Zhang     if (ts->forward_solve || ts->costintegralfwd) { /* Save the info for the later use in cost integral evaluation */
2441a352fa8SHong Zhang       th->ptime0     = ts->ptime;
2451a352fa8SHong Zhang       th->time_step0 = ts->time_step;
24617145e75SHong Zhang     }
2472b5a38e1SLisandro Dalcin     ts->ptime += ts->time_step;
248cdbf8f93SLisandro Dalcin     ts->time_step = next_time_step;
249051f2191SLisandro Dalcin     break;
250051f2191SLisandro Dalcin 
251051f2191SLisandro Dalcin   reject_step:
252fecfb714SLisandro Dalcin     ts->reject++; accept = PETSC_FALSE;
2531566a47fSLisandro Dalcin     if (!ts->reason && ++rejections > ts->max_reject && ts->max_reject >= 0) {
254051f2191SLisandro Dalcin       ts->reason = TS_DIVERGED_STEP_REJECTED;
2551566a47fSLisandro Dalcin       ierr = PetscInfo2(ts,"Step=%D, step rejections %D greater than current TS allowed, stopping solve\n",ts->steps,rejections);CHKERRQ(ierr);
2563b1890cdSShri Abhyankar     }
2573b1890cdSShri Abhyankar   }
258316643e7SJed Brown   PetscFunctionReturn(0);
259316643e7SJed Brown }
260316643e7SJed Brown 
261c9681e5dSHong Zhang static PetscErrorCode TSAdjointStepBEuler_Private(TS ts)
262c9681e5dSHong Zhang {
263c9681e5dSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
264cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
265c9681e5dSHong Zhang   Vec            *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp;
266c9681e5dSHong Zhang   Vec            *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp;
267c9681e5dSHong Zhang   PetscInt       nadj;
2687207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
269c9681e5dSHong Zhang   KSP            ksp;
270c9681e5dSHong Zhang   PetscScalar    *xarr;
271077c4feaSHong Zhang   TSEquationType eqtype;
272077c4feaSHong Zhang   PetscBool      isexplicitode = PETSC_FALSE;
2731a352fa8SHong Zhang   PetscReal      adjoint_time_step;
274c9681e5dSHong Zhang   PetscErrorCode ierr;
275c9681e5dSHong Zhang 
276c9681e5dSHong Zhang   PetscFunctionBegin;
277077c4feaSHong Zhang   ierr = TSGetEquationType(ts,&eqtype);CHKERRQ(ierr);
278077c4feaSHong Zhang   if (eqtype == TS_EQ_ODE_EXPLICIT) {
279077c4feaSHong Zhang     isexplicitode  = PETSC_TRUE;
280077c4feaSHong Zhang     VecsDeltaLam  = ts->vecs_sensi;
281077c4feaSHong Zhang     VecsDeltaLam2 = ts->vecs_sensi2;
282077c4feaSHong Zhang   }
283c9681e5dSHong Zhang   th->status = TS_STEP_INCOMPLETE;
284c9681e5dSHong Zhang   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
285cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
2867207e0fdSHong Zhang   if (quadts) {
287cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
288cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
2897207e0fdSHong Zhang   }
290c9681e5dSHong Zhang 
2911a352fa8SHong Zhang   th->stage_time    = ts->ptime;
2921a352fa8SHong Zhang   adjoint_time_step = -ts->time_step; /* always positive since time_step is negative */
293c9681e5dSHong Zhang 
29433f72c5dSHong Zhang   /* Build RHS for first-order adjoint lambda_{n+1}/h + r_u^T(n+1) */
2957207e0fdSHong Zhang   if (quadts) {
296*82ad9101SHong Zhang     ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
2977207e0fdSHong Zhang   }
298cd4cee2dSHong Zhang 
299c9681e5dSHong Zhang   for (nadj=0; nadj<ts->numcost; nadj++) {
300c9681e5dSHong Zhang     ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
3011a352fa8SHong Zhang     ierr = VecScale(VecsSensiTemp[nadj],1./adjoint_time_step);CHKERRQ(ierr); /* lambda_{n+1}/h */
302cd4cee2dSHong Zhang     if (quadJ) {
303cd4cee2dSHong Zhang       ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
304cd4cee2dSHong Zhang       ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
305cd4cee2dSHong Zhang       ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vec_drdu_col);CHKERRQ(ierr);
306cd4cee2dSHong Zhang       ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
307cd4cee2dSHong Zhang       ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
308c9681e5dSHong Zhang     }
309c9681e5dSHong Zhang   }
310c9681e5dSHong Zhang 
311c9681e5dSHong Zhang   /* Build LHS for first-order adjoint */
312c87ba875SIvan Yashchuk   th->shift = 1./adjoint_time_step;
313*82ad9101SHong Zhang   ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
31404f7482eSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
315c9681e5dSHong Zhang 
316c9681e5dSHong Zhang   /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */
317c9681e5dSHong Zhang   for (nadj=0; nadj<ts->numcost; nadj++) {
318c9681e5dSHong Zhang     KSPConvergedReason kspreason;
319c9681e5dSHong Zhang     ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr);
320c9681e5dSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
321c9681e5dSHong Zhang     if (kspreason < 0) {
322c9681e5dSHong Zhang       ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
32329b3c8a1SHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 1st-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
324c9681e5dSHong Zhang     }
325c9681e5dSHong Zhang   }
326c9681e5dSHong Zhang 
327c9681e5dSHong Zhang   if (ts->vecs_sensi2) { /* U_{n+1} */
328c9681e5dSHong Zhang     /* Get w1 at t_{n+1} from TLM matrix */
329c9681e5dSHong Zhang     ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
330c9681e5dSHong Zhang     ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
331c9681e5dSHong Zhang     /* lambda_s^T F_UU w_1 */
332*82ad9101SHong Zhang     ierr = TSComputeIHessianProductFunctionUU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
333c9681e5dSHong Zhang     /* lambda_s^T F_UP w_2 */
334*82ad9101SHong Zhang     ierr = TSComputeIHessianProductFunctionUP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
335c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */
336c9681e5dSHong Zhang       ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
3371a352fa8SHong Zhang       ierr = VecScale(VecsSensi2Temp[nadj],1./adjoint_time_step);CHKERRQ(ierr);
33833f72c5dSHong Zhang       ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
339c9681e5dSHong Zhang       if (ts->vecs_fup) {
34033f72c5dSHong Zhang         ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
341c9681e5dSHong Zhang       }
342c9681e5dSHong Zhang     }
343c9681e5dSHong Zhang     /* Solve stage equation LHS X = RHS for second-order adjoint */
344c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
34505c9950eSHong Zhang       KSPConvergedReason kspreason;
346c9681e5dSHong Zhang       ierr = KSPSolveTranspose(ksp,VecsSensi2Temp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr);
34705c9950eSHong Zhang       ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
34805c9950eSHong Zhang       if (kspreason < 0) {
34905c9950eSHong Zhang         ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
35029b3c8a1SHong Zhang         ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 2nd-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
35105c9950eSHong Zhang       }
352c9681e5dSHong Zhang     }
353c9681e5dSHong Zhang   }
354c9681e5dSHong Zhang 
355c9681e5dSHong Zhang   /* Update sensitivities, and evaluate integrals if there is any */
356077c4feaSHong Zhang   if (!isexplicitode) {
3573e05ceb1SHong Zhang     th->shift = 0.0;
358*82ad9101SHong Zhang     ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
35904f7482eSHong Zhang     ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
360c9681e5dSHong Zhang     ierr = MatScale(J,-1.);CHKERRQ(ierr);
361c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
36233f72c5dSHong Zhang       /* Add f_U \lambda_s to the original RHS */
363c9681e5dSHong Zhang       ierr = MatMultTransposeAdd(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
3641a352fa8SHong Zhang       ierr = VecScale(VecsSensiTemp[nadj],adjoint_time_step);CHKERRQ(ierr);
365c9681e5dSHong Zhang       ierr = VecCopy(VecsSensiTemp[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr);
366c9681e5dSHong Zhang       if (ts->vecs_sensi2) {
367c9681e5dSHong Zhang         ierr = MatMultTransposeAdd(J,VecsDeltaLam2[nadj],VecsSensi2Temp[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
3681a352fa8SHong Zhang         ierr = VecScale(VecsSensi2Temp[nadj],adjoint_time_step);CHKERRQ(ierr);
369c9681e5dSHong Zhang         ierr = VecCopy(VecsSensi2Temp[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr);
370c9681e5dSHong Zhang       }
371c9681e5dSHong Zhang     }
372077c4feaSHong Zhang   }
373c9681e5dSHong Zhang   if (ts->vecs_sensip) {
374*82ad9101SHong Zhang     ierr = VecAXPBYPCZ(th->Xdot,-1./adjoint_time_step,1.0/adjoint_time_step,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
375*82ad9101SHong Zhang     ierr = TSComputeIJacobianP(ts,th->stage_time,ts->vec_sol,th->Xdot,1./adjoint_time_step,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr); /* get -f_p */
3767207e0fdSHong Zhang     if (quadts) {
377*82ad9101SHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
3787207e0fdSHong Zhang     }
379c9681e5dSHong Zhang     if (ts->vecs_sensi2p) {
380c9681e5dSHong Zhang       /* lambda_s^T F_PU w_1 */
381*82ad9101SHong Zhang       ierr = TSComputeIHessianProductFunctionPU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
38233f72c5dSHong Zhang       /* lambda_s^T F_PP w_2 */
383*82ad9101SHong Zhang       ierr = TSComputeIHessianProductFunctionPP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
384c9681e5dSHong Zhang     }
385cd4cee2dSHong Zhang 
386c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
387c9681e5dSHong Zhang       ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
3881a352fa8SHong Zhang       ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr);
389cd4cee2dSHong Zhang       if (quadJp) {
390cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
391cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
3921a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step,ts->vec_drdp_col);CHKERRQ(ierr);
393cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
394cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
39533f72c5dSHong Zhang       }
396c9681e5dSHong Zhang       if (ts->vecs_sensi2p) {
397c9681e5dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
3981a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,VecsDeltaMu2[nadj]);CHKERRQ(ierr);
399c9681e5dSHong Zhang         if (ts->vecs_fpu) {
4001a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,ts->vecs_fpu[nadj]);CHKERRQ(ierr);
401c9681e5dSHong Zhang         }
402c9681e5dSHong Zhang         if (ts->vecs_fpp) {
4031a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,ts->vecs_fpp[nadj]);CHKERRQ(ierr);
404c9681e5dSHong Zhang         }
405c9681e5dSHong Zhang       }
406c9681e5dSHong Zhang     }
407c9681e5dSHong Zhang   }
408c9681e5dSHong Zhang 
409c9681e5dSHong Zhang   if (ts->vecs_sensi2) {
410c9681e5dSHong Zhang     ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
411c9681e5dSHong Zhang     ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
412c9681e5dSHong Zhang   }
413c9681e5dSHong Zhang   th->status = TS_STEP_COMPLETE;
414c9681e5dSHong Zhang   PetscFunctionReturn(0);
415c9681e5dSHong Zhang }
416c9681e5dSHong Zhang 
41742f2b339SBarry Smith static PetscErrorCode TSAdjointStep_Theta(TS ts)
4182ca6e920SHong Zhang {
4192ca6e920SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
420cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
421b5e0532dSHong Zhang   Vec            *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp;
422b5b4017aSHong Zhang   Vec            *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp;
4232ca6e920SHong Zhang   PetscInt       nadj;
4247207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
4252ca6e920SHong Zhang   KSP            ksp;
426b5b4017aSHong Zhang   PetscScalar    *xarr;
4271a352fa8SHong Zhang   PetscReal      adjoint_time_step;
4281a352fa8SHong Zhang   PetscReal      adjoint_ptime; /* end time of the adjoint time step (ts->ptime is the start time, ususally ts->ptime is larger than adjoint_ptime) */
429b5b4017aSHong Zhang   PetscErrorCode ierr;
4302ca6e920SHong Zhang 
4312ca6e920SHong Zhang   PetscFunctionBegin;
432c9681e5dSHong Zhang   if (th->Theta == 1.) {
433c9681e5dSHong Zhang     ierr = TSAdjointStepBEuler_Private(ts);CHKERRQ(ierr);
434c9681e5dSHong Zhang     PetscFunctionReturn(0);
435c9681e5dSHong Zhang   }
4362ca6e920SHong Zhang   th->status = TS_STEP_INCOMPLETE;
437302440fdSBarry Smith   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
438cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
4397207e0fdSHong Zhang   if (quadts) {
440cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
441cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
4427207e0fdSHong Zhang   }
443b5e0532dSHong Zhang   /* If endpoint=1, th->ptime and th->X0 will be used; if endpoint=0, th->stage_time and th->X will be used. */
4441a352fa8SHong Zhang   th->stage_time    = th->endpoint ? ts->ptime : (ts->ptime+(1.-th->Theta)*ts->time_step);
4451a352fa8SHong Zhang   adjoint_ptime     = ts->ptime + ts->time_step;
4461a352fa8SHong Zhang   adjoint_time_step = -ts->time_step;  /* always positive since time_step is negative */
4472ca6e920SHong Zhang 
448*82ad9101SHong Zhang   if (!th->endpoint) {
449*82ad9101SHong Zhang     ierr = VecAXPBYPCZ(th->X,1.0-th->Theta,th->Theta,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
450*82ad9101SHong Zhang   }
451*82ad9101SHong Zhang 
452b5b4017aSHong Zhang   /* Build RHS for first-order adjoint */
45333f72c5dSHong Zhang   /* Cost function has an integral term */
4547207e0fdSHong Zhang   if (quadts) {
45505755b9cSHong Zhang     if (th->endpoint) {
456cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
45705755b9cSHong Zhang     } else {
458cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
45905755b9cSHong Zhang     }
4607207e0fdSHong Zhang   }
46133f72c5dSHong Zhang 
462abc2977eSBarry Smith   for (nadj=0; nadj<ts->numcost; nadj++) {
463b5e0532dSHong Zhang     ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
4641a352fa8SHong Zhang     ierr = VecScale(VecsSensiTemp[nadj],1./(th->Theta*adjoint_time_step));CHKERRQ(ierr);
465cd4cee2dSHong Zhang     if (quadJ) {
466cd4cee2dSHong Zhang       ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
467cd4cee2dSHong Zhang       ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
468cd4cee2dSHong Zhang       ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vec_drdu_col);CHKERRQ(ierr);
469cd4cee2dSHong Zhang       ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
470cd4cee2dSHong Zhang       ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
47136eaed60SHong Zhang     }
4722ca6e920SHong Zhang   }
4733c54f92cSHong Zhang 
474b5b4017aSHong Zhang   /* Build LHS for first-order adjoint */
4751a352fa8SHong Zhang   th->shift = 1./(th->Theta*adjoint_time_step);
4763c54f92cSHong Zhang   if (th->endpoint) {
47704f7482eSHong Zhang     ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
4783c54f92cSHong Zhang   } else {
47904f7482eSHong Zhang     ierr = TSComputeSNESJacobian(ts,th->X,J,Jpre);CHKERRQ(ierr);
4803c54f92cSHong Zhang   }
481cd4cee2dSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
4822ca6e920SHong Zhang 
483b5b4017aSHong Zhang   /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */
484abc2977eSBarry Smith   for (nadj=0; nadj<ts->numcost; nadj++) {
4851d14d03bSHong Zhang     KSPConvergedReason kspreason;
486b5e0532dSHong Zhang     ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr);
4871d14d03bSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
4881d14d03bSHong Zhang     if (kspreason < 0) {
4891d14d03bSHong Zhang       ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
49029b3c8a1SHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 1st-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
4911d14d03bSHong Zhang     }
4922ca6e920SHong Zhang   }
4933c54f92cSHong Zhang 
4941d14d03bSHong Zhang   /* Second-order adjoint */
495b5b4017aSHong Zhang   if (ts->vecs_sensi2) { /* U_{n+1} */
496b5b4017aSHong Zhang     if (!th->endpoint) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_SUP,"Operation not implemented in TS_Theta");
497b5b4017aSHong Zhang     /* Get w1 at t_{n+1} from TLM matrix */
498b5b4017aSHong Zhang     ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
499b5b4017aSHong Zhang     ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
500b5b4017aSHong Zhang     /* lambda_s^T F_UU w_1 */
501b1e111ebSHong Zhang     ierr = TSComputeIHessianProductFunctionUU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
502b5b4017aSHong Zhang     ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
503b5b4017aSHong Zhang     ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
504b5b4017aSHong Zhang     /* lambda_s^T F_UP w_2 */
505b1e111ebSHong Zhang     ierr = TSComputeIHessianProductFunctionUP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
506b5b4017aSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */
507b5b4017aSHong Zhang       ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
5083e05ceb1SHong Zhang       ierr = VecScale(VecsSensi2Temp[nadj],th->shift);CHKERRQ(ierr);
50933f72c5dSHong Zhang       ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
510b5b4017aSHong Zhang       if (ts->vecs_fup) {
51133f72c5dSHong Zhang         ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
512b5b4017aSHong Zhang       }
513b5b4017aSHong Zhang     }
514b5b4017aSHong Zhang     /* Solve stage equation LHS X = RHS for second-order adjoint */
515b5b4017aSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
5161d14d03bSHong Zhang       KSPConvergedReason kspreason;
5171d14d03bSHong Zhang       ierr = KSPSolveTranspose(ksp,VecsSensi2Temp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr);
5181d14d03bSHong Zhang       ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
5191d14d03bSHong Zhang       if (kspreason < 0) {
5201d14d03bSHong Zhang         ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
52129b3c8a1SHong Zhang         ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 2nd-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
5221d14d03bSHong Zhang       }
523b5b4017aSHong Zhang     }
524b5b4017aSHong Zhang   }
525b5b4017aSHong Zhang 
52636eaed60SHong Zhang   /* Update sensitivities, and evaluate integrals if there is any */
5271d14d03bSHong Zhang   if (th->endpoint) { /* two-stage Theta methods with th->Theta!=1, th->Theta==1 leads to BEuler */
5281a352fa8SHong Zhang     th->shift      = 1./((th->Theta-1.)*adjoint_time_step);
5291a352fa8SHong Zhang     th->stage_time = adjoint_ptime;
53004f7482eSHong Zhang     ierr           = TSComputeSNESJacobian(ts,th->X0,J,Jpre);CHKERRQ(ierr);
53104f7482eSHong Zhang     ierr           = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
53233f72c5dSHong Zhang     /* R_U at t_n */
5337207e0fdSHong Zhang     if (quadts) {
5341a352fa8SHong Zhang       ierr = TSComputeRHSJacobian(quadts,adjoint_ptime,th->X0,quadJ,NULL);CHKERRQ(ierr);
5357207e0fdSHong Zhang     }
536abc2977eSBarry Smith     for (nadj=0; nadj<ts->numcost; nadj++) {
537b5e0532dSHong Zhang       ierr = MatMultTranspose(J,VecsDeltaLam[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr);
538cd4cee2dSHong Zhang       if (quadJ) {
539cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
540cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
541cd4cee2dSHong Zhang         ierr = VecAXPY(ts->vecs_sensi[nadj],-1.,ts->vec_drdu_col);CHKERRQ(ierr);
542cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
543cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
544b5b4017aSHong Zhang       }
5453e05ceb1SHong Zhang       ierr = VecScale(ts->vecs_sensi[nadj],1./th->shift);CHKERRQ(ierr);
546b5b4017aSHong Zhang     }
5471d14d03bSHong Zhang 
5481d14d03bSHong Zhang     /* Second-order adjoint */
5491d14d03bSHong Zhang     if (ts->vecs_sensi2) { /* U_n */
550b5b4017aSHong Zhang       /* Get w1 at t_n from TLM matrix */
551b5b4017aSHong Zhang       ierr = MatDenseGetColumn(th->MatFwdSensip0,0,&xarr);CHKERRQ(ierr);
552b5b4017aSHong Zhang       ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
553b5b4017aSHong Zhang       /* lambda_s^T F_UU w_1 */
5541a352fa8SHong Zhang       ierr = TSComputeIHessianProductFunctionUU(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
555b5b4017aSHong Zhang       ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
55633f72c5dSHong Zhang       ierr = MatDenseRestoreColumn(th->MatFwdSensip0,&xarr);CHKERRQ(ierr);
557b5b4017aSHong Zhang       /* lambda_s^T F_UU w_2 */
5581a352fa8SHong Zhang       ierr = TSComputeIHessianProductFunctionUP(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
559b5b4017aSHong Zhang       for (nadj=0; nadj<ts->numcost; nadj++) {
56033f72c5dSHong Zhang         /* M^T Lambda_s + h(1-theta) F_U^T Lambda_s + h(1-theta) lambda_s^T F_UU w_1 + lambda_s^T F_UP w_2  */
561b5b4017aSHong Zhang         ierr = MatMultTranspose(J,VecsDeltaLam2[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr);
56233f72c5dSHong Zhang         ierr = VecAXPY(ts->vecs_sensi2[nadj],1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
563b5b4017aSHong Zhang         if (ts->vecs_fup) {
56433f72c5dSHong Zhang           ierr = VecAXPY(ts->vecs_sensi2[nadj],1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
565b5b4017aSHong Zhang         }
5663e05ceb1SHong Zhang         ierr = VecScale(ts->vecs_sensi2[nadj],1./th->shift);CHKERRQ(ierr);
567b5b4017aSHong Zhang       }
568b5e0532dSHong Zhang     }
5693fd52205SHong Zhang 
570c586f2e8SHong Zhang     th->stage_time = ts->ptime; /* recover the old value */
571c586f2e8SHong Zhang 
5723fd52205SHong Zhang     if (ts->vecs_sensip) { /* sensitivities wrt parameters */
573b5b4017aSHong Zhang       /* U_{n+1} */
574*82ad9101SHong Zhang       th->shift = 1.0/(adjoint_time_step*th->Theta);
575*82ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
5761a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,ts->vec_sol,th->Xdot,-1./(th->Theta*adjoint_time_step),ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
5777207e0fdSHong Zhang       if (quadts) {
578cd4cee2dSHong Zhang         ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
5797207e0fdSHong Zhang       }
580abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
581b5e0532dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
5821a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step*th->Theta,VecsDeltaMu[nadj]);CHKERRQ(ierr);
5833b711c3fSHong Zhang         if (quadJp) {
5843b711c3fSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
5853b711c3fSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
5863b711c3fSHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step*th->Theta,ts->vec_drdp_col);CHKERRQ(ierr);
5873b711c3fSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
5883b711c3fSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
5893b711c3fSHong Zhang         }
5903fd52205SHong Zhang       }
59133f72c5dSHong Zhang       if (ts->vecs_sensi2p) { /* second-order */
59233f72c5dSHong Zhang         /* Get w1 at t_{n+1} from TLM matrix */
59333f72c5dSHong Zhang         ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
59433f72c5dSHong Zhang         ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
595b5b4017aSHong Zhang         /* lambda_s^T F_PU w_1 */
596b1e111ebSHong Zhang         ierr = TSComputeIHessianProductFunctionPU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
59733f72c5dSHong Zhang         ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
59833f72c5dSHong Zhang         ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
59933f72c5dSHong Zhang 
600b5b4017aSHong Zhang         /* lambda_s^T F_PP w_2 */
601b1e111ebSHong Zhang         ierr = TSComputeIHessianProductFunctionPP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
602b5b4017aSHong Zhang         for (nadj=0; nadj<ts->numcost; nadj++) {
60333f72c5dSHong Zhang           /* Mu2 <- Mu2 + h theta F_P^T Lambda_s + h theta (lambda_s^T F_UU w_1 + lambda_s^T F_UP w_2)  */
604b5b4017aSHong Zhang           ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
6051a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,VecsDeltaMu2[nadj]);CHKERRQ(ierr);
606b5b4017aSHong Zhang           if (ts->vecs_fpu) {
6071a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,ts->vecs_fpu[nadj]);CHKERRQ(ierr);
608b5b4017aSHong Zhang           }
609b5b4017aSHong Zhang           if (ts->vecs_fpp) {
6101a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,ts->vecs_fpp[nadj]);CHKERRQ(ierr);
611b5b4017aSHong Zhang           }
612b5b4017aSHong Zhang         }
613b5b4017aSHong Zhang       }
614b5b4017aSHong Zhang 
615b5b4017aSHong Zhang       /* U_s */
616*82ad9101SHong Zhang       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
6171a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,adjoint_ptime,th->X0,th->Xdot,1./((th->Theta-1.0)*adjoint_time_step),ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
6187207e0fdSHong Zhang       if (quadts) {
6191a352fa8SHong Zhang         ierr = TSComputeRHSJacobianP(quadts,adjoint_ptime,th->X0,quadJp);CHKERRQ(ierr);
6207207e0fdSHong Zhang       }
621abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
622b5e0532dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
6231a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step*(1.0-th->Theta),VecsDeltaMu[nadj]);CHKERRQ(ierr);
6243b711c3fSHong Zhang         if (quadJp) {
6253b711c3fSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
6263b711c3fSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
6273b711c3fSHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step*(1.0-th->Theta),ts->vec_drdp_col);CHKERRQ(ierr);
6283b711c3fSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
6293b711c3fSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
6303b711c3fSHong Zhang         }
63133f72c5dSHong Zhang         if (ts->vecs_sensi2p) { /* second-order */
63233f72c5dSHong Zhang           /* Get w1 at t_n from TLM matrix */
63333f72c5dSHong Zhang           ierr = MatDenseGetColumn(th->MatFwdSensip0,0,&xarr);CHKERRQ(ierr);
63433f72c5dSHong Zhang           ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
635b5b4017aSHong Zhang           /* lambda_s^T F_PU w_1 */
6361a352fa8SHong Zhang           ierr = TSComputeIHessianProductFunctionPU(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
63733f72c5dSHong Zhang           ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
63833f72c5dSHong Zhang           ierr = MatDenseRestoreColumn(th->MatFwdSensip0,&xarr);CHKERRQ(ierr);
639b5b4017aSHong Zhang           /* lambda_s^T F_PP w_2 */
6401a352fa8SHong Zhang           ierr = TSComputeIHessianProductFunctionPP(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
641b5b4017aSHong Zhang           for (nadj=0; nadj<ts->numcost; nadj++) {
64233f72c5dSHong Zhang             /* Mu2 <- Mu2 + h(1-theta) F_P^T Lambda_s + h(1-theta) (lambda_s^T F_UU w_1 + lambda_s^T F_UP w_2) */
643b5b4017aSHong Zhang             ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
6441a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),VecsDeltaMu2[nadj]);CHKERRQ(ierr);
645b5b4017aSHong Zhang             if (ts->vecs_fpu) {
6461a352fa8SHong Zhang               ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),ts->vecs_fpu[nadj]);CHKERRQ(ierr);
647b5e0532dSHong Zhang             }
648b5b4017aSHong Zhang             if (ts->vecs_fpp) {
6491a352fa8SHong Zhang               ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),ts->vecs_fpp[nadj]);CHKERRQ(ierr);
650b5b4017aSHong Zhang             }
65136eaed60SHong Zhang           }
65236eaed60SHong Zhang         }
6533fd52205SHong Zhang       }
654b5e0532dSHong Zhang     }
6553fd52205SHong Zhang   } else { /* one-stage case */
6563e05ceb1SHong Zhang     th->shift = 0.0;
65704f7482eSHong Zhang     ierr      = TSComputeSNESJacobian(ts,th->X,J,Jpre);CHKERRQ(ierr); /* get -f_y */
65804f7482eSHong Zhang     ierr      = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
6597207e0fdSHong Zhang     if (quadts) {
660cd4cee2dSHong Zhang       ierr  = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
6617207e0fdSHong Zhang     }
662abc2977eSBarry Smith     for (nadj=0; nadj<ts->numcost; nadj++) {
663b5e0532dSHong Zhang       ierr = MatMultTranspose(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
6641a352fa8SHong Zhang       ierr = VecAXPY(ts->vecs_sensi[nadj],-adjoint_time_step,VecsSensiTemp[nadj]);CHKERRQ(ierr);
665cd4cee2dSHong Zhang       if (quadJ) {
666cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
667cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
6681a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensi[nadj],adjoint_time_step,ts->vec_drdu_col);CHKERRQ(ierr);
669cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
670cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
67136eaed60SHong Zhang       }
6722ca6e920SHong Zhang     }
6733fd52205SHong Zhang     if (ts->vecs_sensip) {
674*82ad9101SHong Zhang       th->shift = 1.0/(adjoint_time_step*th->Theta);
675*82ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
6763e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,th->X,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
6777207e0fdSHong Zhang       if (quadts) {
678cd4cee2dSHong Zhang         ierr = TSComputeRHSJacobianP(quadts,th->stage_time,th->X,quadJp);CHKERRQ(ierr);
6797207e0fdSHong Zhang       }
680abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
68133f72c5dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
6821a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr);
683cd4cee2dSHong Zhang         if (quadJp) {
684cd4cee2dSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
685cd4cee2dSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
6861a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step,ts->vec_drdp_col);CHKERRQ(ierr);
687cd4cee2dSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
688cd4cee2dSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
68936eaed60SHong Zhang         }
69036eaed60SHong Zhang       }
6913fd52205SHong Zhang     }
6922ca6e920SHong Zhang   }
6932ca6e920SHong Zhang 
6942ca6e920SHong Zhang   th->status = TS_STEP_COMPLETE;
6952ca6e920SHong Zhang   PetscFunctionReturn(0);
6962ca6e920SHong Zhang }
6972ca6e920SHong Zhang 
698cd652676SJed Brown static PetscErrorCode TSInterpolate_Theta(TS ts,PetscReal t,Vec X)
699cd652676SJed Brown {
700cd652676SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
701be5899b3SLisandro Dalcin   PetscReal      dt  = t - ts->ptime;
702cd652676SJed Brown   PetscErrorCode ierr;
703cd652676SJed Brown 
704cd652676SJed Brown   PetscFunctionBegin;
705a43b19c4SJed Brown   ierr = VecCopy(ts->vec_sol,th->X);CHKERRQ(ierr);
706be5899b3SLisandro Dalcin   if (th->endpoint) dt *= th->Theta;
707be5899b3SLisandro Dalcin   ierr = VecWAXPY(X,dt,th->Xdot,th->X);CHKERRQ(ierr);
708cd652676SJed Brown   PetscFunctionReturn(0);
709cd652676SJed Brown }
710cd652676SJed Brown 
7111566a47fSLisandro Dalcin static PetscErrorCode TSEvaluateWLTE_Theta(TS ts,NormType wnormtype,PetscInt *order,PetscReal *wlte)
7121566a47fSLisandro Dalcin {
7131566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
7141566a47fSLisandro Dalcin   Vec            X = ts->vec_sol;      /* X = solution */
7151566a47fSLisandro Dalcin   Vec            Y = th->vec_lte_work; /* Y = X + LTE  */
7167453f775SEmil Constantinescu   PetscReal      wltea,wlter;
7171566a47fSLisandro Dalcin   PetscErrorCode ierr;
7181566a47fSLisandro Dalcin 
7191566a47fSLisandro Dalcin   PetscFunctionBegin;
7202ffb9264SLisandro Dalcin   if (!th->vec_sol_prev) {*wlte = -1; PetscFunctionReturn(0);}
7211566a47fSLisandro Dalcin   /* Cannot compute LTE in first step or in restart after event */
722fecfb714SLisandro Dalcin   if (ts->steprestart) {*wlte = -1; PetscFunctionReturn(0);}
7231566a47fSLisandro Dalcin   /* Compute LTE using backward differences with non-constant time step */
724fecfb714SLisandro Dalcin   {
725be5899b3SLisandro Dalcin     PetscReal   h = ts->time_step, h_prev = ts->ptime - ts->ptime_prev;
726be5899b3SLisandro Dalcin     PetscReal   a = 1 + h_prev/h;
7271566a47fSLisandro Dalcin     PetscScalar scal[3]; Vec vecs[3];
7281566a47fSLisandro Dalcin     scal[0] = +1/a; scal[1] = -1/(a-1); scal[2] = +1/(a*(a-1));
7291566a47fSLisandro Dalcin     vecs[0] = X;    vecs[1] = th->X0;   vecs[2] = th->vec_sol_prev;
7301566a47fSLisandro Dalcin     ierr = VecCopy(X,Y);CHKERRQ(ierr);
7311566a47fSLisandro Dalcin     ierr = VecMAXPY(Y,3,scal,vecs);CHKERRQ(ierr);
7327453f775SEmil Constantinescu     ierr = TSErrorWeightedNorm(ts,X,Y,wnormtype,wlte,&wltea,&wlter);CHKERRQ(ierr);
7331566a47fSLisandro Dalcin   }
7341566a47fSLisandro Dalcin   if (order) *order = 2;
7351566a47fSLisandro Dalcin   PetscFunctionReturn(0);
7361566a47fSLisandro Dalcin }
7371566a47fSLisandro Dalcin 
7381566a47fSLisandro Dalcin static PetscErrorCode TSRollBack_Theta(TS ts)
7391566a47fSLisandro Dalcin {
7401566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
7417207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
7421566a47fSLisandro Dalcin   PetscErrorCode ierr;
7431566a47fSLisandro Dalcin 
7441566a47fSLisandro Dalcin   PetscFunctionBegin;
7451566a47fSLisandro Dalcin   ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr);
746cd4cee2dSHong Zhang   if (quadts && ts->costintegralfwd) {
747cd4cee2dSHong Zhang     ierr = VecCopy(th->VecCostIntegral0,quadts->vec_sol);CHKERRQ(ierr);
7481566a47fSLisandro Dalcin   }
749715f1b00SHong Zhang   th->status = TS_STEP_INCOMPLETE;
75013b1b0ffSHong Zhang   if (ts->mat_sensip) {
75113b1b0ffSHong Zhang     ierr = MatCopy(th->MatFwdSensip0,ts->mat_sensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7526f92202bSHong Zhang   }
7537207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
7547207e0fdSHong Zhang     ierr = MatCopy(th->MatIntegralSensip0,quadts->mat_sensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7556f92202bSHong Zhang   }
756715f1b00SHong Zhang   PetscFunctionReturn(0);
757715f1b00SHong Zhang }
758715f1b00SHong Zhang 
759715f1b00SHong Zhang static PetscErrorCode TSForwardStep_Theta(TS ts)
760715f1b00SHong Zhang {
761715f1b00SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
762cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
76313b1b0ffSHong Zhang   Mat            MatDeltaFwdSensip = th->MatDeltaFwdSensip;
764b5b4017aSHong Zhang   Vec            VecDeltaFwdSensipCol = th->VecDeltaFwdSensipCol;
7657207e0fdSHong Zhang   PetscInt       ntlm;
766715f1b00SHong Zhang   KSP            ksp;
7677207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
76813b1b0ffSHong Zhang   PetscScalar    *barr,*xarr;
7691a352fa8SHong Zhang   PetscReal      previous_shift;
770715f1b00SHong Zhang   PetscErrorCode ierr;
771715f1b00SHong Zhang 
772715f1b00SHong Zhang   PetscFunctionBegin;
7731a352fa8SHong Zhang   previous_shift = th->shift;
77413b1b0ffSHong Zhang   ierr = MatCopy(ts->mat_sensip,th->MatFwdSensip0,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
77513b1b0ffSHong Zhang 
7767207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
7777207e0fdSHong Zhang     ierr = MatCopy(quadts->mat_sensip,th->MatIntegralSensip0,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7786f92202bSHong Zhang   }
779715f1b00SHong Zhang   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
780cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
7817207e0fdSHong Zhang   if (quadts) {
782cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
783cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
7847207e0fdSHong Zhang   }
785715f1b00SHong Zhang 
786715f1b00SHong Zhang   /* Build RHS */
787715f1b00SHong Zhang   if (th->endpoint) { /* 2-stage method*/
7881a352fa8SHong Zhang     th->shift = 1./((th->Theta-1.)*th->time_step0);
7891a352fa8SHong Zhang     ierr = TSComputeIJacobian(ts,th->ptime0,th->X0,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
79013b1b0ffSHong Zhang     ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr);
79113b1b0ffSHong Zhang     ierr = MatScale(MatDeltaFwdSensip,(th->Theta-1.)/th->Theta);CHKERRQ(ierr);
792715f1b00SHong Zhang 
793022c081aSHong Zhang     /* Add the f_p forcing terms */
7940e11c21fSHong Zhang     if (ts->Jacp) {
795*82ad9101SHong Zhang       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
7961a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,th->ptime0,th->X0,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
79733f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,(th->Theta-1.)/th->Theta,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
798*82ad9101SHong Zhang       th->shift = previous_shift;
799*82ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
8003e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,ts->vec_sol,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
80133f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,-1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
8020e11c21fSHong Zhang     }
803715f1b00SHong Zhang   } else { /* 1-stage method */
8043e05ceb1SHong Zhang     th->shift = 0.0;
8053e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
80613b1b0ffSHong Zhang     ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr);
80713b1b0ffSHong Zhang     ierr = MatScale(MatDeltaFwdSensip,-1.);CHKERRQ(ierr);
80813b1b0ffSHong Zhang 
809022c081aSHong Zhang     /* Add the f_p forcing terms */
8100e11c21fSHong Zhang     if (ts->Jacp) {
811*82ad9101SHong Zhang       th->shift = previous_shift;
812*82ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
8133e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,th->X,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
81433f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,-1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
815715f1b00SHong Zhang     }
8160e11c21fSHong Zhang   }
817715f1b00SHong Zhang 
818715f1b00SHong Zhang   /* Build LHS */
8191a352fa8SHong Zhang   th->shift = previous_shift; /* recover the previous shift used in TSStep_Theta() */
820715f1b00SHong Zhang   if (th->endpoint) {
8213e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,ts->vec_sol,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
822715f1b00SHong Zhang   } else {
8233e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
824715f1b00SHong Zhang   }
825cd4cee2dSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
826715f1b00SHong Zhang 
827715f1b00SHong Zhang   /*
828715f1b00SHong Zhang     Evaluate the first stage of integral gradients with the 2-stage method:
829c9ad9de0SHong Zhang     drdu|t_n*S(t_n) + drdp|t_n
830715f1b00SHong Zhang     This is done before the linear solve because the sensitivity variable S(t_n) will be propagated to S(t_{n+1})
831715f1b00SHong Zhang   */
832715f1b00SHong Zhang   if (th->endpoint) { /* 2-stage method only */
8337207e0fdSHong Zhang     if (quadts && quadts->mat_sensip) {
8341a352fa8SHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->ptime0,th->X0,quadJ,NULL);CHKERRQ(ierr);
8351a352fa8SHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->ptime0,th->X0,quadJp);CHKERRQ(ierr);
8367207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8377207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8381a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0*(1.-th->Theta),th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
839715f1b00SHong Zhang     }
840715f1b00SHong Zhang   }
841715f1b00SHong Zhang 
842715f1b00SHong Zhang   /* Solve the tangent linear equation for forward sensitivities to parameters */
843022c081aSHong Zhang   for (ntlm=0; ntlm<th->num_tlm; ntlm++) {
844b5b4017aSHong Zhang     KSPConvergedReason kspreason;
84513b1b0ffSHong Zhang     ierr = MatDenseGetColumn(MatDeltaFwdSensip,ntlm,&barr);CHKERRQ(ierr);
846b5b4017aSHong Zhang     ierr = VecPlaceArray(VecDeltaFwdSensipCol,barr);CHKERRQ(ierr);
847715f1b00SHong Zhang     if (th->endpoint) {
84813b1b0ffSHong Zhang       ierr = MatDenseGetColumn(ts->mat_sensip,ntlm,&xarr);CHKERRQ(ierr);
849b5b4017aSHong Zhang       ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
850b5b4017aSHong Zhang       ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,ts->vec_sensip_col);CHKERRQ(ierr);
851b5b4017aSHong Zhang       ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
85213b1b0ffSHong Zhang       ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
853715f1b00SHong Zhang     } else {
854b5b4017aSHong Zhang       ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,VecDeltaFwdSensipCol);CHKERRQ(ierr);
855715f1b00SHong Zhang     }
856b5b4017aSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
857b5b4017aSHong Zhang     if (kspreason < 0) {
858b5b4017aSHong Zhang       ts->reason = TSFORWARD_DIVERGED_LINEAR_SOLVE;
859b5b4017aSHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth tangent linear solve, linear solve fails, stopping tangent linear solve\n",ts->steps,ntlm);CHKERRQ(ierr);
860b5b4017aSHong Zhang     }
861b5b4017aSHong Zhang     ierr = VecResetArray(VecDeltaFwdSensipCol);CHKERRQ(ierr);
86213b1b0ffSHong Zhang     ierr = MatDenseRestoreColumn(MatDeltaFwdSensip,&barr);CHKERRQ(ierr);
863715f1b00SHong Zhang   }
864715f1b00SHong Zhang 
86513b1b0ffSHong Zhang   /*
86613b1b0ffSHong Zhang     Evaluate the second stage of integral gradients with the 2-stage method:
867c9ad9de0SHong Zhang     drdu|t_{n+1}*S(t_{n+1}) + drdp|t_{n+1}
86813b1b0ffSHong Zhang   */
8697207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
87013b1b0ffSHong Zhang     if (!th->endpoint) {
8717207e0fdSHong Zhang       ierr = MatAXPY(ts->mat_sensip,1,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); /* stage sensitivity */
872cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
873cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,th->X,quadJp);CHKERRQ(ierr);
8747207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8757207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8761a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0,th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
87713b1b0ffSHong Zhang       ierr = MatAXPY(ts->mat_sensip,(1.-th->Theta)/th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
87813b1b0ffSHong Zhang     } else {
879cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
880cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
8817207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8827207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8831a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0*th->Theta,th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
88413b1b0ffSHong Zhang     }
88513b1b0ffSHong Zhang   } else {
88613b1b0ffSHong Zhang     if (!th->endpoint) {
88713b1b0ffSHong Zhang       ierr = MatAXPY(ts->mat_sensip,1./th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
888715f1b00SHong Zhang     }
889715f1b00SHong Zhang   }
8901566a47fSLisandro Dalcin   PetscFunctionReturn(0);
8911566a47fSLisandro Dalcin }
8921566a47fSLisandro Dalcin 
8936affb6f8SHong Zhang static PetscErrorCode TSForwardGetStages_Theta(TS ts,PetscInt *ns,Mat **stagesensip)
8946affb6f8SHong Zhang {
8956affb6f8SHong Zhang   TS_Theta *th = (TS_Theta*)ts->data;
8966affb6f8SHong Zhang 
8976affb6f8SHong Zhang   PetscFunctionBegin;
8986affb6f8SHong Zhang   if (ns) *ns = 1;
8996affb6f8SHong Zhang   if (stagesensip) *stagesensip = th->endpoint ? &(th->MatFwdSensip0) : &(th->MatDeltaFwdSensip);
9006affb6f8SHong Zhang   PetscFunctionReturn(0);
9016affb6f8SHong Zhang }
9026affb6f8SHong Zhang 
903316643e7SJed Brown /*------------------------------------------------------------*/
904277b19d0SLisandro Dalcin static PetscErrorCode TSReset_Theta(TS ts)
905316643e7SJed Brown {
906316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
907316643e7SJed Brown   PetscErrorCode ierr;
908316643e7SJed Brown 
909316643e7SJed Brown   PetscFunctionBegin;
9106bf464f9SBarry Smith   ierr = VecDestroy(&th->X);CHKERRQ(ierr);
9116bf464f9SBarry Smith   ierr = VecDestroy(&th->Xdot);CHKERRQ(ierr);
9123b1890cdSShri Abhyankar   ierr = VecDestroy(&th->X0);CHKERRQ(ierr);
913eb284becSJed Brown   ierr = VecDestroy(&th->affine);CHKERRQ(ierr);
9141566a47fSLisandro Dalcin 
9151566a47fSLisandro Dalcin   ierr = VecDestroy(&th->vec_sol_prev);CHKERRQ(ierr);
9161566a47fSLisandro Dalcin   ierr = VecDestroy(&th->vec_lte_work);CHKERRQ(ierr);
9171566a47fSLisandro Dalcin 
918b1cb36f3SHong Zhang   ierr = VecDestroy(&th->VecCostIntegral0);CHKERRQ(ierr);
919277b19d0SLisandro Dalcin   PetscFunctionReturn(0);
920277b19d0SLisandro Dalcin }
921277b19d0SLisandro Dalcin 
922ece46509SHong Zhang static PetscErrorCode TSAdjointReset_Theta(TS ts)
923ece46509SHong Zhang {
924ece46509SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
925ece46509SHong Zhang   PetscErrorCode ierr;
926ece46509SHong Zhang 
927ece46509SHong Zhang   PetscFunctionBegin;
928ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr);
929ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr);
930ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr);
931ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr);
932ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr);
933ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr);
934ece46509SHong Zhang   PetscFunctionReturn(0);
935ece46509SHong Zhang }
936ece46509SHong Zhang 
937277b19d0SLisandro Dalcin static PetscErrorCode TSDestroy_Theta(TS ts)
938277b19d0SLisandro Dalcin {
939277b19d0SLisandro Dalcin   PetscErrorCode ierr;
940277b19d0SLisandro Dalcin 
941277b19d0SLisandro Dalcin   PetscFunctionBegin;
942277b19d0SLisandro Dalcin   ierr = TSReset_Theta(ts);CHKERRQ(ierr);
943b3a6b972SJed Brown   if (ts->dm) {
944b3a6b972SJed Brown     ierr = DMCoarsenHookRemove(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr);
945b3a6b972SJed Brown     ierr = DMSubDomainHookRemove(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr);
946b3a6b972SJed Brown   }
947277b19d0SLisandro Dalcin   ierr = PetscFree(ts->data);CHKERRQ(ierr);
948bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",NULL);CHKERRQ(ierr);
949bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",NULL);CHKERRQ(ierr);
950bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",NULL);CHKERRQ(ierr);
951bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",NULL);CHKERRQ(ierr);
952316643e7SJed Brown   PetscFunctionReturn(0);
953316643e7SJed Brown }
954316643e7SJed Brown 
955316643e7SJed Brown /*
956316643e7SJed Brown   This defines the nonlinear equation that is to be solved with SNES
9572b5a38e1SLisandro Dalcin   G(U) = F[t0+Theta*dt, U, (U-U0)*shift] = 0
9580fd10508SMatthew Knepley 
9590fd10508SMatthew Knepley   Note that U here is the stage argument. This means that U = U_{n+1} only if endpoint = true,
9600fd10508SMatthew Knepley   otherwise U = theta U_{n+1} + (1 - theta) U0, which for the case of implicit midpoint is
9610fd10508SMatthew Knepley   U = (U_{n+1} + U0)/2
962316643e7SJed Brown */
9630f5c6efeSJed Brown static PetscErrorCode SNESTSFormFunction_Theta(SNES snes,Vec x,Vec y,TS ts)
964316643e7SJed Brown {
965316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
966316643e7SJed Brown   PetscErrorCode ierr;
9677445fe48SJed Brown   Vec            X0,Xdot;
9687445fe48SJed Brown   DM             dm,dmsave;
9693e05ceb1SHong Zhang   PetscReal      shift = th->shift;
970316643e7SJed Brown 
971316643e7SJed Brown   PetscFunctionBegin;
9727445fe48SJed Brown   ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr);
9735a3a76d0SJed Brown   /* When using the endpoint variant, this is actually 1/Theta * Xdot */
9747445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
975494ce9fcSHong Zhang   if (x != X0) {
976b296d7d5SJed Brown     ierr = VecAXPBYPCZ(Xdot,-shift,shift,0,X0,x);CHKERRQ(ierr);
977494ce9fcSHong Zhang   } else {
978494ce9fcSHong Zhang     ierr = VecZeroEntries(Xdot);CHKERRQ(ierr);
979494ce9fcSHong Zhang   }
9807445fe48SJed Brown   /* DM monkey-business allows user code to call TSGetDM() inside of functions evaluated on levels of FAS */
9817445fe48SJed Brown   dmsave = ts->dm;
9827445fe48SJed Brown   ts->dm = dm;
9837445fe48SJed Brown   ierr   = TSComputeIFunction(ts,th->stage_time,x,Xdot,y,PETSC_FALSE);CHKERRQ(ierr);
9847445fe48SJed Brown   ts->dm = dmsave;
9850d0b770aSPeter Brune   ierr   = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
986316643e7SJed Brown   PetscFunctionReturn(0);
987316643e7SJed Brown }
988316643e7SJed Brown 
989d1e9a80fSBarry Smith static PetscErrorCode SNESTSFormJacobian_Theta(SNES snes,Vec x,Mat A,Mat B,TS ts)
990316643e7SJed Brown {
991316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
992316643e7SJed Brown   PetscErrorCode ierr;
9937445fe48SJed Brown   Vec            Xdot;
9947445fe48SJed Brown   DM             dm,dmsave;
9953e05ceb1SHong Zhang   PetscReal      shift = th->shift;
996316643e7SJed Brown 
997316643e7SJed Brown   PetscFunctionBegin;
9987445fe48SJed Brown   ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr);
999be5899b3SLisandro Dalcin   /* Xdot has already been computed in SNESTSFormFunction_Theta (SNES guarantees this) */
10000298fd71SBarry Smith   ierr = TSThetaGetX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr);
10017445fe48SJed Brown 
10027445fe48SJed Brown   dmsave = ts->dm;
10037445fe48SJed Brown   ts->dm = dm;
1004d1e9a80fSBarry Smith   ierr   = TSComputeIJacobian(ts,th->stage_time,x,Xdot,shift,A,B,PETSC_FALSE);CHKERRQ(ierr);
10057445fe48SJed Brown   ts->dm = dmsave;
10060298fd71SBarry Smith   ierr   = TSThetaRestoreX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr);
1007316643e7SJed Brown   PetscFunctionReturn(0);
1008316643e7SJed Brown }
1009316643e7SJed Brown 
1010715f1b00SHong Zhang static PetscErrorCode TSForwardSetUp_Theta(TS ts)
1011715f1b00SHong Zhang {
1012715f1b00SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
10137207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
1014715f1b00SHong Zhang   PetscErrorCode ierr;
1015715f1b00SHong Zhang 
1016715f1b00SHong Zhang   PetscFunctionBegin;
1017022c081aSHong Zhang   /* combine sensitivities to parameters and sensitivities to initial values into one array */
101813b1b0ffSHong Zhang   th->num_tlm = ts->num_parameters;
101913b1b0ffSHong Zhang   ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatDeltaFwdSensip);CHKERRQ(ierr);
10207207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
10217207e0fdSHong Zhang     ierr = MatDuplicate(quadts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
10227207e0fdSHong Zhang     ierr = MatDuplicate(quadts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatIntegralSensip0);CHKERRQ(ierr);
1023715f1b00SHong Zhang   }
10246f92202bSHong Zhang   /* backup sensitivity results for roll-backs */
102513b1b0ffSHong Zhang   ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatFwdSensip0);CHKERRQ(ierr);
102613b1b0ffSHong Zhang 
1027b5b4017aSHong Zhang   ierr = VecDuplicate(ts->vec_sol,&th->VecDeltaFwdSensipCol);CHKERRQ(ierr);
1028715f1b00SHong Zhang   PetscFunctionReturn(0);
1029715f1b00SHong Zhang }
1030715f1b00SHong Zhang 
10317adebddeSHong Zhang static PetscErrorCode TSForwardReset_Theta(TS ts)
10327adebddeSHong Zhang {
10337adebddeSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
10347207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
10357adebddeSHong Zhang   PetscErrorCode ierr;
10367adebddeSHong Zhang 
10377adebddeSHong Zhang   PetscFunctionBegin;
10387207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
10397207e0fdSHong Zhang     ierr = MatDestroy(&th->MatIntegralSensipTemp);CHKERRQ(ierr);
10407207e0fdSHong Zhang     ierr = MatDestroy(&th->MatIntegralSensip0);CHKERRQ(ierr);
10417adebddeSHong Zhang   }
10427adebddeSHong Zhang   ierr = VecDestroy(&th->VecDeltaFwdSensipCol);CHKERRQ(ierr);
10437adebddeSHong Zhang   ierr = MatDestroy(&th->MatDeltaFwdSensip);CHKERRQ(ierr);
10447adebddeSHong Zhang   ierr = MatDestroy(&th->MatFwdSensip0);CHKERRQ(ierr);
10457adebddeSHong Zhang   PetscFunctionReturn(0);
10467adebddeSHong Zhang }
10477adebddeSHong Zhang 
1048316643e7SJed Brown static PetscErrorCode TSSetUp_Theta(TS ts)
1049316643e7SJed Brown {
1050316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1051cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
10522ffb9264SLisandro Dalcin   PetscBool      match;
1053316643e7SJed Brown   PetscErrorCode ierr;
1054316643e7SJed Brown 
1055316643e7SJed Brown   PetscFunctionBegin;
1056cd4cee2dSHong Zhang   if (!th->VecCostIntegral0 && quadts && ts->costintegralfwd) { /* back up cost integral */
1057cd4cee2dSHong Zhang     ierr = VecDuplicate(quadts->vec_sol,&th->VecCostIntegral0);CHKERRQ(ierr);
1058b1cb36f3SHong Zhang   }
105939d13666SHong Zhang   if (!th->X) {
1060316643e7SJed Brown     ierr = VecDuplicate(ts->vec_sol,&th->X);CHKERRQ(ierr);
106139d13666SHong Zhang   }
106239d13666SHong Zhang   if (!th->Xdot) {
1063316643e7SJed Brown     ierr = VecDuplicate(ts->vec_sol,&th->Xdot);CHKERRQ(ierr);
106439d13666SHong Zhang   }
106539d13666SHong Zhang   if (!th->X0) {
10663b1890cdSShri Abhyankar     ierr = VecDuplicate(ts->vec_sol,&th->X0);CHKERRQ(ierr);
106739d13666SHong Zhang   }
10681566a47fSLisandro Dalcin   if (th->endpoint) {
10691566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr);
10707445fe48SJed Brown   }
10713b1890cdSShri Abhyankar 
10721566a47fSLisandro Dalcin   th->order = (th->Theta == 0.5) ? 2 : 1;
107320d49056SMatthew G. Knepley   th->shift = 1/(th->Theta*ts->time_step);
10741566a47fSLisandro Dalcin 
10751566a47fSLisandro Dalcin   ierr = TSGetDM(ts,&ts->dm);CHKERRQ(ierr);
10761566a47fSLisandro Dalcin   ierr = DMCoarsenHookAdd(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr);
10771566a47fSLisandro Dalcin   ierr = DMSubDomainHookAdd(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr);
10781566a47fSLisandro Dalcin 
10791566a47fSLisandro Dalcin   ierr = TSGetAdapt(ts,&ts->adapt);CHKERRQ(ierr);
10801566a47fSLisandro Dalcin   ierr = TSAdaptCandidatesClear(ts->adapt);CHKERRQ(ierr);
10812ffb9264SLisandro Dalcin   ierr = PetscObjectTypeCompare((PetscObject)ts->adapt,TSADAPTNONE,&match);CHKERRQ(ierr);
10822ffb9264SLisandro Dalcin   if (!match) {
10831566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->vec_sol_prev);CHKERRQ(ierr);
10841566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->vec_lte_work);CHKERRQ(ierr);
10853b1890cdSShri Abhyankar   }
10861566a47fSLisandro Dalcin   ierr = TSGetSNES(ts,&ts->snes);CHKERRQ(ierr);
1087b4dd3bf9SBarry Smith   PetscFunctionReturn(0);
1088b4dd3bf9SBarry Smith }
10890c7376e5SHong Zhang 
1090b4dd3bf9SBarry Smith /*------------------------------------------------------------*/
1091b4dd3bf9SBarry Smith 
1092b4dd3bf9SBarry Smith static PetscErrorCode TSAdjointSetUp_Theta(TS ts)
1093b4dd3bf9SBarry Smith {
1094b4dd3bf9SBarry Smith   TS_Theta       *th = (TS_Theta*)ts->data;
1095b4dd3bf9SBarry Smith   PetscErrorCode ierr;
1096b4dd3bf9SBarry Smith 
1097b4dd3bf9SBarry Smith   PetscFunctionBegin;
1098b5e0532dSHong Zhang   ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr);
1099b5b4017aSHong Zhang   ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr);
11002ca6e920SHong Zhang   if (ts->vecs_sensip) {
1101b5e0532dSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensip[0],ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr);
11022ca6e920SHong Zhang   }
1103b5b4017aSHong Zhang   if (ts->vecs_sensi2) {
1104b5b4017aSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr);
1105b5b4017aSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi2[0],ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr);
110667633408SHong Zhang     /* hack ts to make implicit TS solver work when users provide only explicit versions of callbacks (RHSFunction,RHSJacobian,RHSHessian etc.) */
110767633408SHong Zhang     if (!ts->ihessianproduct_fuu) ts->vecs_fuu = ts->vecs_guu;
110867633408SHong Zhang     if (!ts->ihessianproduct_fup) ts->vecs_fup = ts->vecs_gup;
1109b5b4017aSHong Zhang   }
1110c9681e5dSHong Zhang   if (ts->vecs_sensi2p) {
1111c9681e5dSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi2p[0],ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr);
111267633408SHong Zhang     /* hack ts to make implicit TS solver work when users provide only explicit versions of callbacks (RHSFunction,RHSJacobian,RHSHessian etc.) */
111367633408SHong Zhang     if (!ts->ihessianproduct_fpu) ts->vecs_fpu = ts->vecs_gpu;
111467633408SHong Zhang     if (!ts->ihessianproduct_fpp) ts->vecs_fpp = ts->vecs_gpp;
1115b5b4017aSHong Zhang   }
1116316643e7SJed Brown   PetscFunctionReturn(0);
1117316643e7SJed Brown }
1118316643e7SJed Brown 
11194416b707SBarry Smith static PetscErrorCode TSSetFromOptions_Theta(PetscOptionItems *PetscOptionsObject,TS ts)
1120316643e7SJed Brown {
1121316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1122316643e7SJed Brown   PetscErrorCode ierr;
1123316643e7SJed Brown 
1124316643e7SJed Brown   PetscFunctionBegin;
1125e55864a3SBarry Smith   ierr = PetscOptionsHead(PetscOptionsObject,"Theta ODE solver options");CHKERRQ(ierr);
1126316643e7SJed Brown   {
11270298fd71SBarry Smith     ierr = PetscOptionsReal("-ts_theta_theta","Location of stage (0<Theta<=1)","TSThetaSetTheta",th->Theta,&th->Theta,NULL);CHKERRQ(ierr);
11280298fd71SBarry Smith     ierr = PetscOptionsBool("-ts_theta_endpoint","Use the endpoint instead of midpoint form of the Theta method","TSThetaSetEndpoint",th->endpoint,&th->endpoint,NULL);CHKERRQ(ierr);
112903842d09SLisandro Dalcin     ierr = PetscOptionsBool("-ts_theta_initial_guess_extrapolate","Extrapolate stage initial guess from previous solution (sometimes unstable)","TSThetaSetExtrapolate",th->extrapolate,&th->extrapolate,NULL);CHKERRQ(ierr);
1130316643e7SJed Brown   }
1131316643e7SJed Brown   ierr = PetscOptionsTail();CHKERRQ(ierr);
1132316643e7SJed Brown   PetscFunctionReturn(0);
1133316643e7SJed Brown }
1134316643e7SJed Brown 
1135316643e7SJed Brown static PetscErrorCode TSView_Theta(TS ts,PetscViewer viewer)
1136316643e7SJed Brown {
1137316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1138ace3abfcSBarry Smith   PetscBool      iascii;
1139316643e7SJed Brown   PetscErrorCode ierr;
1140316643e7SJed Brown 
1141316643e7SJed Brown   PetscFunctionBegin;
1142251f4c67SDmitry Karpeev   ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&iascii);CHKERRQ(ierr);
1143316643e7SJed Brown   if (iascii) {
11447c8652ddSBarry Smith     ierr = PetscViewerASCIIPrintf(viewer,"  Theta=%g\n",(double)th->Theta);CHKERRQ(ierr);
1145ace68cafSJed Brown     ierr = PetscViewerASCIIPrintf(viewer,"  Extrapolation=%s\n",th->extrapolate ? "yes" : "no");CHKERRQ(ierr);
1146316643e7SJed Brown   }
1147316643e7SJed Brown   PetscFunctionReturn(0);
1148316643e7SJed Brown }
1149316643e7SJed Brown 
1150560360afSLisandro Dalcin static PetscErrorCode TSThetaGetTheta_Theta(TS ts,PetscReal *theta)
11510de4c49aSJed Brown {
11520de4c49aSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
11530de4c49aSJed Brown 
11540de4c49aSJed Brown   PetscFunctionBegin;
11550de4c49aSJed Brown   *theta = th->Theta;
11560de4c49aSJed Brown   PetscFunctionReturn(0);
11570de4c49aSJed Brown }
11580de4c49aSJed Brown 
1159560360afSLisandro Dalcin static PetscErrorCode TSThetaSetTheta_Theta(TS ts,PetscReal theta)
11600de4c49aSJed Brown {
11610de4c49aSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
11620de4c49aSJed Brown 
11630de4c49aSJed Brown   PetscFunctionBegin;
11647c8652ddSBarry Smith   if (theta <= 0 || 1 < theta) SETERRQ1(PetscObjectComm((PetscObject)ts),PETSC_ERR_ARG_OUTOFRANGE,"Theta %g not in range (0,1]",(double)theta);
11650de4c49aSJed Brown   th->Theta = theta;
11661566a47fSLisandro Dalcin   th->order = (th->Theta == 0.5) ? 2 : 1;
11670de4c49aSJed Brown   PetscFunctionReturn(0);
11680de4c49aSJed Brown }
1169eb284becSJed Brown 
1170560360afSLisandro Dalcin static PetscErrorCode TSThetaGetEndpoint_Theta(TS ts,PetscBool *endpoint)
117126f2ff8fSLisandro Dalcin {
117226f2ff8fSLisandro Dalcin   TS_Theta *th = (TS_Theta*)ts->data;
117326f2ff8fSLisandro Dalcin 
117426f2ff8fSLisandro Dalcin   PetscFunctionBegin;
117526f2ff8fSLisandro Dalcin   *endpoint = th->endpoint;
117626f2ff8fSLisandro Dalcin   PetscFunctionReturn(0);
117726f2ff8fSLisandro Dalcin }
117826f2ff8fSLisandro Dalcin 
1179560360afSLisandro Dalcin static PetscErrorCode TSThetaSetEndpoint_Theta(TS ts,PetscBool flg)
1180eb284becSJed Brown {
1181eb284becSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
1182eb284becSJed Brown 
1183eb284becSJed Brown   PetscFunctionBegin;
1184eb284becSJed Brown   th->endpoint = flg;
1185eb284becSJed Brown   PetscFunctionReturn(0);
1186eb284becSJed Brown }
11870de4c49aSJed Brown 
1188f9c1d6abSBarry Smith #if defined(PETSC_HAVE_COMPLEX)
1189f9c1d6abSBarry Smith static PetscErrorCode TSComputeLinearStability_Theta(TS ts,PetscReal xr,PetscReal xi,PetscReal *yr,PetscReal *yi)
1190f9c1d6abSBarry Smith {
1191f9c1d6abSBarry Smith   PetscComplex   z   = xr + xi*PETSC_i,f;
1192f9c1d6abSBarry Smith   TS_Theta       *th = (TS_Theta*)ts->data;
11933fd8ae06SJed Brown   const PetscReal one = 1.0;
1194f9c1d6abSBarry Smith 
1195f9c1d6abSBarry Smith   PetscFunctionBegin;
11963fd8ae06SJed Brown   f   = (one + (one - th->Theta)*z)/(one - th->Theta*z);
1197f9c1d6abSBarry Smith   *yr = PetscRealPartComplex(f);
1198f9c1d6abSBarry Smith   *yi = PetscImaginaryPartComplex(f);
1199f9c1d6abSBarry Smith   PetscFunctionReturn(0);
1200f9c1d6abSBarry Smith }
1201f9c1d6abSBarry Smith #endif
1202f9c1d6abSBarry Smith 
120342682096SHong Zhang static PetscErrorCode TSGetStages_Theta(TS ts,PetscInt *ns,Vec **Y)
120442682096SHong Zhang {
120542682096SHong Zhang   TS_Theta     *th = (TS_Theta*)ts->data;
120642682096SHong Zhang 
120742682096SHong Zhang   PetscFunctionBegin;
12081566a47fSLisandro Dalcin   if (ns) *ns = 1;
1209*82ad9101SHong Zhang   if (Y)  *Y  = &(th->X0);
121042682096SHong Zhang   PetscFunctionReturn(0);
121142682096SHong Zhang }
1212f9c1d6abSBarry Smith 
1213316643e7SJed Brown /* ------------------------------------------------------------ */
1214316643e7SJed Brown /*MC
121596f5712cSJed Brown       TSTHETA - DAE solver using the implicit Theta method
1216316643e7SJed Brown 
1217316643e7SJed Brown    Level: beginner
1218316643e7SJed Brown 
12194eb428fdSBarry Smith    Options Database:
1220c82ed962SBarry Smith +  -ts_theta_theta <Theta> - Location of stage (0<Theta<=1)
1221c82ed962SBarry Smith .  -ts_theta_endpoint <flag> - Use the endpoint (like Crank-Nicholson) instead of midpoint form of the Theta method
122203842d09SLisandro Dalcin -  -ts_theta_initial_guess_extrapolate <flg> - Extrapolate stage initial guess from previous solution (sometimes unstable)
12234eb428fdSBarry Smith 
1224eb284becSJed Brown    Notes:
12250c3ba866SJed Brown $  -ts_type theta -ts_theta_theta 1.0 corresponds to backward Euler (TSBEULER)
12260c3ba866SJed Brown $  -ts_type theta -ts_theta_theta 0.5 corresponds to the implicit midpoint rule
12274eb428fdSBarry Smith $  -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint corresponds to Crank-Nicholson (TSCN)
12284eb428fdSBarry Smith 
1229eb284becSJed Brown    This method can be applied to DAE.
1230eb284becSJed Brown 
1231eb284becSJed Brown    This method is cast as a 1-stage implicit Runge-Kutta method.
1232eb284becSJed Brown 
1233eb284becSJed Brown .vb
1234eb284becSJed Brown   Theta | Theta
1235eb284becSJed Brown   -------------
1236eb284becSJed Brown         |  1
1237eb284becSJed Brown .ve
1238eb284becSJed Brown 
1239eb284becSJed Brown    For the default Theta=0.5, this is also known as the implicit midpoint rule.
1240eb284becSJed Brown 
1241eb284becSJed Brown    When the endpoint variant is chosen, the method becomes a 2-stage method with first stage explicit:
1242eb284becSJed Brown 
1243eb284becSJed Brown .vb
1244eb284becSJed Brown   0 | 0         0
1245eb284becSJed Brown   1 | 1-Theta   Theta
1246eb284becSJed Brown   -------------------
1247eb284becSJed Brown     | 1-Theta   Theta
1248eb284becSJed Brown .ve
1249eb284becSJed Brown 
1250eb284becSJed Brown    For the default Theta=0.5, this is the trapezoid rule (also known as Crank-Nicolson, see TSCN).
1251eb284becSJed Brown 
1252eb284becSJed Brown    To apply a diagonally implicit RK method to DAE, the stage formula
1253eb284becSJed Brown 
1254eb284becSJed Brown $  Y_i = X + h sum_j a_ij Y'_j
1255eb284becSJed Brown 
12564eb428fdSBarry Smith    is interpreted as a formula for Y'_i in terms of Y_i and known values (Y'_j, j<i)
1257eb284becSJed Brown 
1258eb284becSJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSCN, TSBEULER, TSThetaSetTheta(), TSThetaSetEndpoint()
1259316643e7SJed Brown 
1260316643e7SJed Brown M*/
12618cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_Theta(TS ts)
1262316643e7SJed Brown {
1263316643e7SJed Brown   TS_Theta       *th;
1264316643e7SJed Brown   PetscErrorCode ierr;
1265316643e7SJed Brown 
1266316643e7SJed Brown   PetscFunctionBegin;
1267277b19d0SLisandro Dalcin   ts->ops->reset           = TSReset_Theta;
1268ece46509SHong Zhang   ts->ops->adjointreset    = TSAdjointReset_Theta;
1269316643e7SJed Brown   ts->ops->destroy         = TSDestroy_Theta;
1270316643e7SJed Brown   ts->ops->view            = TSView_Theta;
1271316643e7SJed Brown   ts->ops->setup           = TSSetUp_Theta;
127242f2b339SBarry Smith   ts->ops->adjointsetup    = TSAdjointSetUp_Theta;
1273ece46509SHong Zhang   ts->ops->adjointreset    = TSAdjointReset_Theta;
1274316643e7SJed Brown   ts->ops->step            = TSStep_Theta;
1275cd652676SJed Brown   ts->ops->interpolate     = TSInterpolate_Theta;
12761566a47fSLisandro Dalcin   ts->ops->evaluatewlte    = TSEvaluateWLTE_Theta;
127724655328SShri   ts->ops->rollback        = TSRollBack_Theta;
1278316643e7SJed Brown   ts->ops->setfromoptions  = TSSetFromOptions_Theta;
12790f5c6efeSJed Brown   ts->ops->snesfunction    = SNESTSFormFunction_Theta;
12800f5c6efeSJed Brown   ts->ops->snesjacobian    = SNESTSFormJacobian_Theta;
1281f9c1d6abSBarry Smith #if defined(PETSC_HAVE_COMPLEX)
1282f9c1d6abSBarry Smith   ts->ops->linearstability = TSComputeLinearStability_Theta;
1283f9c1d6abSBarry Smith #endif
128442682096SHong Zhang   ts->ops->getstages       = TSGetStages_Theta;
128542f2b339SBarry Smith   ts->ops->adjointstep     = TSAdjointStep_Theta;
1286b1cb36f3SHong Zhang   ts->ops->adjointintegral = TSAdjointCostIntegral_Theta;
1287b1cb36f3SHong Zhang   ts->ops->forwardintegral = TSForwardCostIntegral_Theta;
12882ffb9264SLisandro Dalcin   ts->default_adapt_type   = TSADAPTNONE;
12896affb6f8SHong Zhang 
1290715f1b00SHong Zhang   ts->ops->forwardsetup     = TSForwardSetUp_Theta;
12917adebddeSHong Zhang   ts->ops->forwardreset     = TSForwardReset_Theta;
1292715f1b00SHong Zhang   ts->ops->forwardstep      = TSForwardStep_Theta;
12936affb6f8SHong Zhang   ts->ops->forwardgetstages = TSForwardGetStages_Theta;
1294316643e7SJed Brown 
1295efd4aadfSBarry Smith   ts->usessnes = PETSC_TRUE;
1296efd4aadfSBarry Smith 
1297b00a9115SJed Brown   ierr = PetscNewLog(ts,&th);CHKERRQ(ierr);
1298316643e7SJed Brown   ts->data = (void*)th;
1299316643e7SJed Brown 
1300715f1b00SHong Zhang   th->VecsDeltaLam    = NULL;
1301715f1b00SHong Zhang   th->VecsDeltaMu     = NULL;
1302715f1b00SHong Zhang   th->VecsSensiTemp   = NULL;
1303b5b4017aSHong Zhang   th->VecsSensi2Temp  = NULL;
1304715f1b00SHong Zhang 
13056f700aefSJed Brown   th->extrapolate = PETSC_FALSE;
1306316643e7SJed Brown   th->Theta       = 0.5;
13071566a47fSLisandro Dalcin   th->order       = 2;
1308bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",TSThetaGetTheta_Theta);CHKERRQ(ierr);
1309bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",TSThetaSetTheta_Theta);CHKERRQ(ierr);
1310bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",TSThetaGetEndpoint_Theta);CHKERRQ(ierr);
1311bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",TSThetaSetEndpoint_Theta);CHKERRQ(ierr);
1312316643e7SJed Brown   PetscFunctionReturn(0);
1313316643e7SJed Brown }
13140de4c49aSJed Brown 
13150de4c49aSJed Brown /*@
13160de4c49aSJed Brown   TSThetaGetTheta - Get the abscissa of the stage in (0,1].
13170de4c49aSJed Brown 
13180de4c49aSJed Brown   Not Collective
13190de4c49aSJed Brown 
13200de4c49aSJed Brown   Input Parameter:
13210de4c49aSJed Brown .  ts - timestepping context
13220de4c49aSJed Brown 
13230de4c49aSJed Brown   Output Parameter:
13240de4c49aSJed Brown .  theta - stage abscissa
13250de4c49aSJed Brown 
13260de4c49aSJed Brown   Note:
13270de4c49aSJed Brown   Use of this function is normally only required to hack TSTHETA to use a modified integration scheme.
13280de4c49aSJed Brown 
13290de4c49aSJed Brown   Level: Advanced
13300de4c49aSJed Brown 
13310de4c49aSJed Brown .seealso: TSThetaSetTheta()
13320de4c49aSJed Brown @*/
13337087cfbeSBarry Smith PetscErrorCode  TSThetaGetTheta(TS ts,PetscReal *theta)
13340de4c49aSJed Brown {
13354ac538c5SBarry Smith   PetscErrorCode ierr;
13360de4c49aSJed Brown 
13370de4c49aSJed Brown   PetscFunctionBegin;
1338afb20b64SJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
13390de4c49aSJed Brown   PetscValidPointer(theta,2);
13404ac538c5SBarry Smith   ierr = PetscUseMethod(ts,"TSThetaGetTheta_C",(TS,PetscReal*),(ts,theta));CHKERRQ(ierr);
13410de4c49aSJed Brown   PetscFunctionReturn(0);
13420de4c49aSJed Brown }
13430de4c49aSJed Brown 
13440de4c49aSJed Brown /*@
13450de4c49aSJed Brown   TSThetaSetTheta - Set the abscissa of the stage in (0,1].
13460de4c49aSJed Brown 
13470de4c49aSJed Brown   Not Collective
13480de4c49aSJed Brown 
13490de4c49aSJed Brown   Input Parameter:
13500de4c49aSJed Brown +  ts - timestepping context
13510de4c49aSJed Brown -  theta - stage abscissa
13520de4c49aSJed Brown 
13530de4c49aSJed Brown   Options Database:
13540de4c49aSJed Brown .  -ts_theta_theta <theta>
13550de4c49aSJed Brown 
13560de4c49aSJed Brown   Level: Intermediate
13570de4c49aSJed Brown 
13580de4c49aSJed Brown .seealso: TSThetaGetTheta()
13590de4c49aSJed Brown @*/
13607087cfbeSBarry Smith PetscErrorCode  TSThetaSetTheta(TS ts,PetscReal theta)
13610de4c49aSJed Brown {
13624ac538c5SBarry Smith   PetscErrorCode ierr;
13630de4c49aSJed Brown 
13640de4c49aSJed Brown   PetscFunctionBegin;
1365afb20b64SJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
13664ac538c5SBarry Smith   ierr = PetscTryMethod(ts,"TSThetaSetTheta_C",(TS,PetscReal),(ts,theta));CHKERRQ(ierr);
13670de4c49aSJed Brown   PetscFunctionReturn(0);
13680de4c49aSJed Brown }
1369f33bbcb6SJed Brown 
137026f2ff8fSLisandro Dalcin /*@
137126f2ff8fSLisandro Dalcin   TSThetaGetEndpoint - Gets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule).
137226f2ff8fSLisandro Dalcin 
137326f2ff8fSLisandro Dalcin   Not Collective
137426f2ff8fSLisandro Dalcin 
137526f2ff8fSLisandro Dalcin   Input Parameter:
137626f2ff8fSLisandro Dalcin .  ts - timestepping context
137726f2ff8fSLisandro Dalcin 
137826f2ff8fSLisandro Dalcin   Output Parameter:
137926f2ff8fSLisandro Dalcin .  endpoint - PETSC_TRUE when using the endpoint variant
138026f2ff8fSLisandro Dalcin 
138126f2ff8fSLisandro Dalcin   Level: Advanced
138226f2ff8fSLisandro Dalcin 
138326f2ff8fSLisandro Dalcin .seealso: TSThetaSetEndpoint(), TSTHETA, TSCN
138426f2ff8fSLisandro Dalcin @*/
138526f2ff8fSLisandro Dalcin PetscErrorCode TSThetaGetEndpoint(TS ts,PetscBool *endpoint)
138626f2ff8fSLisandro Dalcin {
138726f2ff8fSLisandro Dalcin   PetscErrorCode ierr;
138826f2ff8fSLisandro Dalcin 
138926f2ff8fSLisandro Dalcin   PetscFunctionBegin;
139026f2ff8fSLisandro Dalcin   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
139126f2ff8fSLisandro Dalcin   PetscValidPointer(endpoint,2);
1392163d334eSBarry Smith   ierr = PetscUseMethod(ts,"TSThetaGetEndpoint_C",(TS,PetscBool*),(ts,endpoint));CHKERRQ(ierr);
139326f2ff8fSLisandro Dalcin   PetscFunctionReturn(0);
139426f2ff8fSLisandro Dalcin }
139526f2ff8fSLisandro Dalcin 
1396eb284becSJed Brown /*@
1397eb284becSJed Brown   TSThetaSetEndpoint - Sets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule).
1398eb284becSJed Brown 
1399eb284becSJed Brown   Not Collective
1400eb284becSJed Brown 
1401eb284becSJed Brown   Input Parameter:
1402eb284becSJed Brown +  ts - timestepping context
1403eb284becSJed Brown -  flg - PETSC_TRUE to use the endpoint variant
1404eb284becSJed Brown 
1405eb284becSJed Brown   Options Database:
1406eb284becSJed Brown .  -ts_theta_endpoint <flg>
1407eb284becSJed Brown 
1408eb284becSJed Brown   Level: Intermediate
1409eb284becSJed Brown 
1410eb284becSJed Brown .seealso: TSTHETA, TSCN
1411eb284becSJed Brown @*/
1412eb284becSJed Brown PetscErrorCode TSThetaSetEndpoint(TS ts,PetscBool flg)
1413eb284becSJed Brown {
1414eb284becSJed Brown   PetscErrorCode ierr;
1415eb284becSJed Brown 
1416eb284becSJed Brown   PetscFunctionBegin;
1417eb284becSJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
1418eb284becSJed Brown   ierr = PetscTryMethod(ts,"TSThetaSetEndpoint_C",(TS,PetscBool),(ts,flg));CHKERRQ(ierr);
1419eb284becSJed Brown   PetscFunctionReturn(0);
1420eb284becSJed Brown }
1421eb284becSJed Brown 
1422f33bbcb6SJed Brown /*
1423f33bbcb6SJed Brown  * TSBEULER and TSCN are straightforward specializations of TSTHETA.
1424f33bbcb6SJed Brown  * The creation functions for these specializations are below.
1425f33bbcb6SJed Brown  */
1426f33bbcb6SJed Brown 
14271566a47fSLisandro Dalcin static PetscErrorCode TSSetUp_BEuler(TS ts)
14281566a47fSLisandro Dalcin {
14291566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
14301566a47fSLisandro Dalcin   PetscErrorCode ierr;
14311566a47fSLisandro Dalcin 
14321566a47fSLisandro Dalcin   PetscFunctionBegin;
14331566a47fSLisandro Dalcin   if (th->Theta != 1.0) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_OPT_OVERWRITE,"Can not change the default value (1) of theta when using backward Euler\n");
14341566a47fSLisandro Dalcin   if (th->endpoint) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_OPT_OVERWRITE,"Can not change to the endpoint form of the Theta methods when using backward Euler\n");
14351566a47fSLisandro Dalcin   ierr = TSSetUp_Theta(ts);CHKERRQ(ierr);
14361566a47fSLisandro Dalcin   PetscFunctionReturn(0);
14371566a47fSLisandro Dalcin }
14381566a47fSLisandro Dalcin 
1439f33bbcb6SJed Brown static PetscErrorCode TSView_BEuler(TS ts,PetscViewer viewer)
1440f33bbcb6SJed Brown {
1441f33bbcb6SJed Brown   PetscFunctionBegin;
1442f33bbcb6SJed Brown   PetscFunctionReturn(0);
1443f33bbcb6SJed Brown }
1444f33bbcb6SJed Brown 
1445f33bbcb6SJed Brown /*MC
1446f33bbcb6SJed Brown       TSBEULER - ODE solver using the implicit backward Euler method
1447f33bbcb6SJed Brown 
1448f33bbcb6SJed Brown   Level: beginner
1449f33bbcb6SJed Brown 
14504eb428fdSBarry Smith   Notes:
1451c7eb6c99SShri Abhyankar   TSBEULER is equivalent to TSTHETA with Theta=1.0
14524eb428fdSBarry Smith 
14531566a47fSLisandro Dalcin $  -ts_type theta -ts_theta_theta 1.0
14544eb428fdSBarry Smith 
1455f33bbcb6SJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSEULER, TSCN, TSTHETA
1456f33bbcb6SJed Brown 
1457f33bbcb6SJed Brown M*/
14588cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_BEuler(TS ts)
1459f33bbcb6SJed Brown {
1460f33bbcb6SJed Brown   PetscErrorCode ierr;
1461f33bbcb6SJed Brown 
1462f33bbcb6SJed Brown   PetscFunctionBegin;
1463f33bbcb6SJed Brown   ierr = TSCreate_Theta(ts);CHKERRQ(ierr);
1464f33bbcb6SJed Brown   ierr = TSThetaSetTheta(ts,1.0);CHKERRQ(ierr);
14651566a47fSLisandro Dalcin   ierr = TSThetaSetEndpoint(ts,PETSC_FALSE);CHKERRQ(ierr);
14660c7376e5SHong Zhang   ts->ops->setup = TSSetUp_BEuler;
1467f33bbcb6SJed Brown   ts->ops->view  = TSView_BEuler;
1468f33bbcb6SJed Brown   PetscFunctionReturn(0);
1469f33bbcb6SJed Brown }
1470f33bbcb6SJed Brown 
14711566a47fSLisandro Dalcin static PetscErrorCode TSSetUp_CN(TS ts)
14721566a47fSLisandro Dalcin {
14731566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
14741566a47fSLisandro Dalcin   PetscErrorCode ierr;
14751566a47fSLisandro Dalcin 
14761566a47fSLisandro Dalcin   PetscFunctionBegin;
14771566a47fSLisandro Dalcin   if (th->Theta != 0.5) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_OPT_OVERWRITE,"Can not change the default value (0.5) of theta when using Crank-Nicolson\n");
14781566a47fSLisandro Dalcin   if (!th->endpoint) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_OPT_OVERWRITE,"Can not change to the midpoint form of the Theta methods when using Crank-Nicolson\n");
14791566a47fSLisandro Dalcin   ierr = TSSetUp_Theta(ts);CHKERRQ(ierr);
14801566a47fSLisandro Dalcin   PetscFunctionReturn(0);
14811566a47fSLisandro Dalcin }
14821566a47fSLisandro Dalcin 
1483f33bbcb6SJed Brown static PetscErrorCode TSView_CN(TS ts,PetscViewer viewer)
1484f33bbcb6SJed Brown {
1485f33bbcb6SJed Brown   PetscFunctionBegin;
1486f33bbcb6SJed Brown   PetscFunctionReturn(0);
1487f33bbcb6SJed Brown }
1488f33bbcb6SJed Brown 
1489f33bbcb6SJed Brown /*MC
1490f33bbcb6SJed Brown       TSCN - ODE solver using the implicit Crank-Nicolson method.
1491f33bbcb6SJed Brown 
1492f33bbcb6SJed Brown   Level: beginner
1493f33bbcb6SJed Brown 
1494f33bbcb6SJed Brown   Notes:
14957cf5af47SJed Brown   TSCN is equivalent to TSTHETA with Theta=0.5 and the "endpoint" option set. I.e.
14967cf5af47SJed Brown 
14977cf5af47SJed Brown $  -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint
1498f33bbcb6SJed Brown 
1499f33bbcb6SJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSBEULER, TSTHETA
1500f33bbcb6SJed Brown 
1501f33bbcb6SJed Brown M*/
15028cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_CN(TS ts)
1503f33bbcb6SJed Brown {
1504f33bbcb6SJed Brown   PetscErrorCode ierr;
1505f33bbcb6SJed Brown 
1506f33bbcb6SJed Brown   PetscFunctionBegin;
1507f33bbcb6SJed Brown   ierr = TSCreate_Theta(ts);CHKERRQ(ierr);
1508f33bbcb6SJed Brown   ierr = TSThetaSetTheta(ts,0.5);CHKERRQ(ierr);
1509eb284becSJed Brown   ierr = TSThetaSetEndpoint(ts,PETSC_TRUE);CHKERRQ(ierr);
15100c7376e5SHong Zhang   ts->ops->setup = TSSetUp_CN;
1511f33bbcb6SJed Brown   ts->ops->view  = TSView_CN;
1512f33bbcb6SJed Brown   PetscFunctionReturn(0);
1513f33bbcb6SJed Brown }
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