xref: /petsc/src/ts/impls/implicit/theta/theta.c (revision cc4f23bcf64df33b59f5bbb708ade68497d25378)
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;
12*cc4f23bcSHong Zhang   Vec          Stages[2];                 /* Storage for stage solutions */
13*cc4f23bcSHong Zhang   Vec          X0,X,Xdot;                /* Storage for u^n, u^n + dt a_{11} k_1, and time derivative u^{n+1}_t */
141566a47fSLisandro Dalcin   Vec          affine;                   /* Affine vector needed for residual at beginning of step in endpoint formulation */
151566a47fSLisandro Dalcin   PetscReal    Theta;
161a352fa8SHong Zhang   PetscReal    shift;                    /* Shift parameter for SNES Jacobian, used by forward, TLM and adjoint */
171566a47fSLisandro Dalcin   PetscInt     order;
181566a47fSLisandro Dalcin   PetscBool    endpoint;
191566a47fSLisandro Dalcin   PetscBool    extrapolate;
20715f1b00SHong Zhang   TSStepStatus status;
211a352fa8SHong Zhang   Vec          VecCostIntegral0;         /* Backup for roll-backs due to events, used by cost integral */
221a352fa8SHong Zhang   PetscReal    ptime0;                   /* Backup for ts->ptime, the start time of current time step, used by TLM and cost integral */
231a352fa8SHong Zhang   PetscReal    time_step0;               /* Backup for ts->timestep, the step size of current time step, used by TLM and cost integral*/
241566a47fSLisandro Dalcin 
25715f1b00SHong Zhang   /* context for sensitivity analysis */
26022c081aSHong Zhang   PetscInt     num_tlm;                  /* Total number of tangent linear equations */
27b5e0532dSHong Zhang   Vec          *VecsDeltaLam;            /* Increment of the adjoint sensitivity w.r.t IC at stage */
28b5e0532dSHong Zhang   Vec          *VecsDeltaMu;             /* Increment of the adjoint sensitivity w.r.t P at stage */
2913b1b0ffSHong Zhang   Vec          *VecsSensiTemp;           /* Vector to be multiplied with Jacobian transpose */
30*cc4f23bcSHong Zhang   Mat          MatFwdStages[2];          /* TLM Stages */
3113b1b0ffSHong Zhang   Mat          MatDeltaFwdSensip;        /* Increment of the forward sensitivity at stage */
32b5b4017aSHong Zhang   Vec          VecDeltaFwdSensipCol;     /* Working vector for holding one column of the sensitivity matrix */
3313b1b0ffSHong Zhang   Mat          MatFwdSensip0;            /* backup for roll-backs due to events */
347207e0fdSHong Zhang   Mat          MatIntegralSensipTemp;    /* Working vector for forward integral sensitivity */
357207e0fdSHong Zhang   Mat          MatIntegralSensip0;       /* backup for roll-backs due to events */
36b5b4017aSHong Zhang   Vec          *VecsDeltaLam2;           /* Increment of the 2nd-order adjoint sensitivity w.r.t IC at stage */
37b5b4017aSHong Zhang   Vec          *VecsDeltaMu2;            /* Increment of the 2nd-order adjoint sensitivity w.r.t P at stage */
38b5b4017aSHong Zhang   Vec          *VecsSensi2Temp;          /* Working vectors that holds the residual for the second-order adjoint */
39b5b4017aSHong Zhang   Vec          *VecsAffine;              /* Working vectors to store residuals */
40715f1b00SHong Zhang   /* context for error estimation */
411566a47fSLisandro Dalcin   Vec          vec_sol_prev;
421566a47fSLisandro Dalcin   Vec          vec_lte_work;
43316643e7SJed Brown } TS_Theta;
44316643e7SJed Brown 
457445fe48SJed Brown static PetscErrorCode TSThetaGetX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot)
467445fe48SJed Brown {
477445fe48SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
487445fe48SJed Brown   PetscErrorCode ierr;
497445fe48SJed Brown 
507445fe48SJed Brown   PetscFunctionBegin;
517445fe48SJed Brown   if (X0) {
527445fe48SJed Brown     if (dm && dm != ts->dm) {
530d0b770aSPeter Brune       ierr = DMGetNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr);
547445fe48SJed Brown     } else *X0 = ts->vec_sol;
557445fe48SJed Brown   }
567445fe48SJed Brown   if (Xdot) {
577445fe48SJed Brown     if (dm && dm != ts->dm) {
580d0b770aSPeter Brune       ierr = DMGetNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr);
597445fe48SJed Brown     } else *Xdot = th->Xdot;
607445fe48SJed Brown   }
617445fe48SJed Brown   PetscFunctionReturn(0);
627445fe48SJed Brown }
637445fe48SJed Brown 
640d0b770aSPeter Brune static PetscErrorCode TSThetaRestoreX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot)
650d0b770aSPeter Brune {
660d0b770aSPeter Brune   PetscErrorCode ierr;
670d0b770aSPeter Brune 
680d0b770aSPeter Brune   PetscFunctionBegin;
690d0b770aSPeter Brune   if (X0) {
700d0b770aSPeter Brune     if (dm && dm != ts->dm) {
710d0b770aSPeter Brune       ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr);
720d0b770aSPeter Brune     }
730d0b770aSPeter Brune   }
740d0b770aSPeter Brune   if (Xdot) {
750d0b770aSPeter Brune     if (dm && dm != ts->dm) {
760d0b770aSPeter Brune       ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr);
770d0b770aSPeter Brune     }
780d0b770aSPeter Brune   }
790d0b770aSPeter Brune   PetscFunctionReturn(0);
800d0b770aSPeter Brune }
810d0b770aSPeter Brune 
827445fe48SJed Brown static PetscErrorCode DMCoarsenHook_TSTheta(DM fine,DM coarse,void *ctx)
837445fe48SJed Brown {
847445fe48SJed Brown   PetscFunctionBegin;
857445fe48SJed Brown   PetscFunctionReturn(0);
867445fe48SJed Brown }
877445fe48SJed Brown 
887445fe48SJed Brown static PetscErrorCode DMRestrictHook_TSTheta(DM fine,Mat restrct,Vec rscale,Mat inject,DM coarse,void *ctx)
897445fe48SJed Brown {
907445fe48SJed Brown   TS             ts = (TS)ctx;
917445fe48SJed Brown   PetscErrorCode ierr;
927445fe48SJed Brown   Vec            X0,Xdot,X0_c,Xdot_c;
937445fe48SJed Brown 
947445fe48SJed Brown   PetscFunctionBegin;
957445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr);
967445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr);
977445fe48SJed Brown   ierr = MatRestrict(restrct,X0,X0_c);CHKERRQ(ierr);
987445fe48SJed Brown   ierr = MatRestrict(restrct,Xdot,Xdot_c);CHKERRQ(ierr);
997445fe48SJed Brown   ierr = VecPointwiseMult(X0_c,rscale,X0_c);CHKERRQ(ierr);
1007445fe48SJed Brown   ierr = VecPointwiseMult(Xdot_c,rscale,Xdot_c);CHKERRQ(ierr);
1010d0b770aSPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr);
1020d0b770aSPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr);
1037445fe48SJed Brown   PetscFunctionReturn(0);
1047445fe48SJed Brown }
1057445fe48SJed Brown 
106258e1594SPeter Brune static PetscErrorCode DMSubDomainHook_TSTheta(DM dm,DM subdm,void *ctx)
107258e1594SPeter Brune {
108258e1594SPeter Brune   PetscFunctionBegin;
109258e1594SPeter Brune   PetscFunctionReturn(0);
110258e1594SPeter Brune }
111258e1594SPeter Brune 
112258e1594SPeter Brune static PetscErrorCode DMSubDomainRestrictHook_TSTheta(DM dm,VecScatter gscat,VecScatter lscat,DM subdm,void *ctx)
113258e1594SPeter Brune {
114258e1594SPeter Brune   TS             ts = (TS)ctx;
115258e1594SPeter Brune   PetscErrorCode ierr;
116258e1594SPeter Brune   Vec            X0,Xdot,X0_sub,Xdot_sub;
117258e1594SPeter Brune 
118258e1594SPeter Brune   PetscFunctionBegin;
119258e1594SPeter Brune   ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
120258e1594SPeter Brune   ierr = TSThetaGetX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr);
121258e1594SPeter Brune 
122258e1594SPeter Brune   ierr = VecScatterBegin(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
123258e1594SPeter Brune   ierr = VecScatterEnd(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
124258e1594SPeter Brune 
125258e1594SPeter Brune   ierr = VecScatterBegin(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
126258e1594SPeter Brune   ierr = VecScatterEnd(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr);
127258e1594SPeter Brune 
128258e1594SPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
129258e1594SPeter Brune   ierr = TSThetaRestoreX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr);
130258e1594SPeter Brune   PetscFunctionReturn(0);
131258e1594SPeter Brune }
132258e1594SPeter Brune 
133022c081aSHong Zhang static PetscErrorCode TSThetaEvaluateCostIntegral(TS ts)
134022c081aSHong Zhang {
135022c081aSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
136cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
137022c081aSHong Zhang   PetscErrorCode ierr;
138022c081aSHong Zhang 
139022c081aSHong Zhang   PetscFunctionBegin;
140022c081aSHong Zhang   if (th->endpoint) {
141022c081aSHong Zhang     /* Evolve ts->vec_costintegral to compute integrals */
142022c081aSHong Zhang     if (th->Theta!=1.0) {
1431a352fa8SHong Zhang       ierr = TSComputeRHSFunction(quadts,th->ptime0,th->X0,ts->vec_costintegrand);CHKERRQ(ierr);
1441a352fa8SHong Zhang       ierr = VecAXPY(quadts->vec_sol,th->time_step0*(1.0-th->Theta),ts->vec_costintegrand);CHKERRQ(ierr);
145022c081aSHong Zhang     }
146cd4cee2dSHong Zhang     ierr = TSComputeRHSFunction(quadts,ts->ptime,ts->vec_sol,ts->vec_costintegrand);CHKERRQ(ierr);
1471a352fa8SHong Zhang     ierr = VecAXPY(quadts->vec_sol,th->time_step0*th->Theta,ts->vec_costintegrand);CHKERRQ(ierr);
148022c081aSHong Zhang   } else {
149cd4cee2dSHong Zhang     ierr = TSComputeRHSFunction(quadts,th->stage_time,th->X,ts->vec_costintegrand);CHKERRQ(ierr);
1501a352fa8SHong Zhang     ierr = VecAXPY(quadts->vec_sol,th->time_step0,ts->vec_costintegrand);CHKERRQ(ierr);
151022c081aSHong Zhang   }
152022c081aSHong Zhang   PetscFunctionReturn(0);
153022c081aSHong Zhang }
154022c081aSHong Zhang 
155b1cb36f3SHong Zhang static PetscErrorCode TSForwardCostIntegral_Theta(TS ts)
156b1cb36f3SHong Zhang {
157b1cb36f3SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
158cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
159b1cb36f3SHong Zhang   PetscErrorCode ierr;
160b1cb36f3SHong Zhang 
161b1cb36f3SHong Zhang   PetscFunctionBegin;
162b1cb36f3SHong Zhang   /* backup cost integral */
163cd4cee2dSHong Zhang   ierr = VecCopy(quadts->vec_sol,th->VecCostIntegral0);CHKERRQ(ierr);
164022c081aSHong Zhang   ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr);
165b1cb36f3SHong Zhang   PetscFunctionReturn(0);
166b1cb36f3SHong Zhang }
167b1cb36f3SHong Zhang 
168b1cb36f3SHong Zhang static PetscErrorCode TSAdjointCostIntegral_Theta(TS ts)
169b1cb36f3SHong Zhang {
1701a352fa8SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
171b1cb36f3SHong Zhang   PetscErrorCode ierr;
172b1cb36f3SHong Zhang 
173b1cb36f3SHong Zhang   PetscFunctionBegin;
1741a352fa8SHong Zhang   /* Like TSForwardCostIntegral(), the adjoint cost integral evaluation relies on ptime0 and time_step0. */
1751a352fa8SHong Zhang   th->ptime0     = ts->ptime + ts->time_step;
1761a352fa8SHong Zhang   th->time_step0 = -ts->time_step;
177022c081aSHong Zhang   ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr);
17824655328SShri   PetscFunctionReturn(0);
17924655328SShri }
18024655328SShri 
181470880abSPatrick Sanan static PetscErrorCode TSTheta_SNESSolve(TS ts,Vec b,Vec x)
1821566a47fSLisandro Dalcin {
1831566a47fSLisandro Dalcin   PetscInt       nits,lits;
1841566a47fSLisandro Dalcin   PetscErrorCode ierr;
1851566a47fSLisandro Dalcin 
1861566a47fSLisandro Dalcin   PetscFunctionBegin;
1871566a47fSLisandro Dalcin   ierr = SNESSolve(ts->snes,b,x);CHKERRQ(ierr);
1881566a47fSLisandro Dalcin   ierr = SNESGetIterationNumber(ts->snes,&nits);CHKERRQ(ierr);
1891566a47fSLisandro Dalcin   ierr = SNESGetLinearSolveIterations(ts->snes,&lits);CHKERRQ(ierr);
1901566a47fSLisandro Dalcin   ts->snes_its += nits; ts->ksp_its += lits;
1911566a47fSLisandro Dalcin   PetscFunctionReturn(0);
1921566a47fSLisandro Dalcin }
1931566a47fSLisandro Dalcin 
194193ac0bcSJed Brown static PetscErrorCode TSStep_Theta(TS ts)
195316643e7SJed Brown {
196316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1971566a47fSLisandro Dalcin   PetscInt       rejections = 0;
1984957b756SLisandro Dalcin   PetscBool      stageok,accept = PETSC_TRUE;
1991566a47fSLisandro Dalcin   PetscReal      next_time_step = ts->time_step;
200051f2191SLisandro Dalcin   PetscErrorCode ierr;
201316643e7SJed Brown 
202316643e7SJed Brown   PetscFunctionBegin;
2031566a47fSLisandro Dalcin   if (!ts->steprollback) {
2042ffb9264SLisandro Dalcin     if (th->vec_sol_prev) { ierr = VecCopy(th->X0,th->vec_sol_prev);CHKERRQ(ierr); }
2053b1890cdSShri Abhyankar     ierr = VecCopy(ts->vec_sol,th->X0);CHKERRQ(ierr);
2061566a47fSLisandro Dalcin   }
2071566a47fSLisandro Dalcin 
2081566a47fSLisandro Dalcin   th->status     = TS_STEP_INCOMPLETE;
20999260352SHong Zhang   while (!ts->reason && th->status != TS_STEP_COMPLETE) {
2103e05ceb1SHong Zhang     th->shift      = 1/(th->Theta*ts->time_step);
2111566a47fSLisandro Dalcin     th->stage_time = ts->ptime + (th->endpoint ? (PetscReal)1 : th->Theta)*ts->time_step;
212be5899b3SLisandro Dalcin     ierr = VecCopy(th->X0,th->X);CHKERRQ(ierr);
213fecfb714SLisandro Dalcin     if (th->extrapolate && !ts->steprestart) {
2143e05ceb1SHong Zhang       ierr = VecAXPY(th->X,1/th->shift,th->Xdot);CHKERRQ(ierr);
215be5899b3SLisandro Dalcin     }
216eb284becSJed Brown     if (th->endpoint) { /* This formulation assumes linear time-independent mass matrix */
217eb284becSJed Brown       if (!th->affine) {ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr);}
2181566a47fSLisandro Dalcin       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
2191566a47fSLisandro Dalcin       ierr = TSComputeIFunction(ts,ts->ptime,th->X0,th->Xdot,th->affine,PETSC_FALSE);CHKERRQ(ierr);
2201566a47fSLisandro Dalcin       ierr = VecScale(th->affine,(th->Theta-1)/th->Theta);CHKERRQ(ierr);
2211566a47fSLisandro Dalcin     } else if (th->affine) { /* Just in case th->endpoint is changed between calls to TSStep_Theta() */
2221566a47fSLisandro Dalcin       ierr = VecZeroEntries(th->affine);CHKERRQ(ierr);
223eb284becSJed Brown     }
224be5899b3SLisandro Dalcin     ierr = TSPreStage(ts,th->stage_time);CHKERRQ(ierr);
225470880abSPatrick Sanan     ierr = TSTheta_SNESSolve(ts,th->affine,th->X);CHKERRQ(ierr);
226be5899b3SLisandro Dalcin     ierr = TSPostStage(ts,th->stage_time,0,&th->X);CHKERRQ(ierr);
2271566a47fSLisandro Dalcin     ierr = TSAdaptCheckStage(ts->adapt,ts,th->stage_time,th->X,&stageok);CHKERRQ(ierr);
228fecfb714SLisandro Dalcin     if (!stageok) goto reject_step;
229051f2191SLisandro Dalcin 
230051f2191SLisandro Dalcin     th->status = TS_STEP_PENDING;
2311566a47fSLisandro Dalcin     if (th->endpoint) {
2321566a47fSLisandro Dalcin       ierr = VecCopy(th->X,ts->vec_sol);CHKERRQ(ierr);
2331566a47fSLisandro Dalcin     } else {
2343e05ceb1SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
2351566a47fSLisandro Dalcin       ierr = VecAXPY(ts->vec_sol,ts->time_step,th->Xdot);CHKERRQ(ierr);
2361566a47fSLisandro Dalcin     }
2371566a47fSLisandro Dalcin     ierr = TSAdaptChoose(ts->adapt,ts,ts->time_step,NULL,&next_time_step,&accept);CHKERRQ(ierr);
2381566a47fSLisandro Dalcin     th->status = accept ? TS_STEP_COMPLETE : TS_STEP_INCOMPLETE;
2391566a47fSLisandro Dalcin     if (!accept) {
2401566a47fSLisandro Dalcin       ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr);
241be5899b3SLisandro Dalcin       ts->time_step = next_time_step;
242be5899b3SLisandro Dalcin       goto reject_step;
243051f2191SLisandro Dalcin     }
2443b1890cdSShri Abhyankar 
245715f1b00SHong Zhang     if (ts->forward_solve || ts->costintegralfwd) { /* Save the info for the later use in cost integral evaluation */
2461a352fa8SHong Zhang       th->ptime0     = ts->ptime;
2471a352fa8SHong Zhang       th->time_step0 = ts->time_step;
24817145e75SHong Zhang     }
2492b5a38e1SLisandro Dalcin     ts->ptime += ts->time_step;
250cdbf8f93SLisandro Dalcin     ts->time_step = next_time_step;
251051f2191SLisandro Dalcin     break;
252051f2191SLisandro Dalcin 
253051f2191SLisandro Dalcin   reject_step:
254fecfb714SLisandro Dalcin     ts->reject++; accept = PETSC_FALSE;
2551566a47fSLisandro Dalcin     if (!ts->reason && ++rejections > ts->max_reject && ts->max_reject >= 0) {
256051f2191SLisandro Dalcin       ts->reason = TS_DIVERGED_STEP_REJECTED;
2571566a47fSLisandro Dalcin       ierr = PetscInfo2(ts,"Step=%D, step rejections %D greater than current TS allowed, stopping solve\n",ts->steps,rejections);CHKERRQ(ierr);
2583b1890cdSShri Abhyankar     }
2593b1890cdSShri Abhyankar   }
260316643e7SJed Brown   PetscFunctionReturn(0);
261316643e7SJed Brown }
262316643e7SJed Brown 
263c9681e5dSHong Zhang static PetscErrorCode TSAdjointStepBEuler_Private(TS ts)
264c9681e5dSHong Zhang {
265c9681e5dSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
266cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
267c9681e5dSHong Zhang   Vec            *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp;
268c9681e5dSHong Zhang   Vec            *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp;
269c9681e5dSHong Zhang   PetscInt       nadj;
2707207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
271c9681e5dSHong Zhang   KSP            ksp;
272c9681e5dSHong Zhang   PetscScalar    *xarr;
273077c4feaSHong Zhang   TSEquationType eqtype;
274077c4feaSHong Zhang   PetscBool      isexplicitode = PETSC_FALSE;
2751a352fa8SHong Zhang   PetscReal      adjoint_time_step;
276c9681e5dSHong Zhang   PetscErrorCode ierr;
277c9681e5dSHong Zhang 
278c9681e5dSHong Zhang   PetscFunctionBegin;
279077c4feaSHong Zhang   ierr = TSGetEquationType(ts,&eqtype);CHKERRQ(ierr);
280077c4feaSHong Zhang   if (eqtype == TS_EQ_ODE_EXPLICIT) {
281077c4feaSHong Zhang     isexplicitode  = PETSC_TRUE;
282077c4feaSHong Zhang     VecsDeltaLam  = ts->vecs_sensi;
283077c4feaSHong Zhang     VecsDeltaLam2 = ts->vecs_sensi2;
284077c4feaSHong Zhang   }
285c9681e5dSHong Zhang   th->status = TS_STEP_INCOMPLETE;
286c9681e5dSHong Zhang   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
287cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
2887207e0fdSHong Zhang   if (quadts) {
289cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
290cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
2917207e0fdSHong Zhang   }
292c9681e5dSHong Zhang 
2931a352fa8SHong Zhang   th->stage_time    = ts->ptime;
2941a352fa8SHong Zhang   adjoint_time_step = -ts->time_step; /* always positive since time_step is negative */
295c9681e5dSHong Zhang 
29633f72c5dSHong Zhang   /* Build RHS for first-order adjoint lambda_{n+1}/h + r_u^T(n+1) */
2977207e0fdSHong Zhang   if (quadts) {
29882ad9101SHong Zhang     ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
2997207e0fdSHong Zhang   }
300cd4cee2dSHong Zhang 
301c9681e5dSHong Zhang   for (nadj=0; nadj<ts->numcost; nadj++) {
302c9681e5dSHong Zhang     ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
3031a352fa8SHong Zhang     ierr = VecScale(VecsSensiTemp[nadj],1./adjoint_time_step);CHKERRQ(ierr); /* lambda_{n+1}/h */
304cd4cee2dSHong Zhang     if (quadJ) {
305cd4cee2dSHong Zhang       ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
306cd4cee2dSHong Zhang       ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
307cd4cee2dSHong Zhang       ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vec_drdu_col);CHKERRQ(ierr);
308cd4cee2dSHong Zhang       ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
309cd4cee2dSHong Zhang       ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
310c9681e5dSHong Zhang     }
311c9681e5dSHong Zhang   }
312c9681e5dSHong Zhang 
313c9681e5dSHong Zhang   /* Build LHS for first-order adjoint */
314c87ba875SIvan Yashchuk   th->shift = 1./adjoint_time_step;
31582ad9101SHong Zhang   ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
31604f7482eSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
317c9681e5dSHong Zhang 
318c9681e5dSHong Zhang   /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */
319c9681e5dSHong Zhang   for (nadj=0; nadj<ts->numcost; nadj++) {
320c9681e5dSHong Zhang     KSPConvergedReason kspreason;
321c9681e5dSHong Zhang     ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr);
322c9681e5dSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
323c9681e5dSHong Zhang     if (kspreason < 0) {
324c9681e5dSHong Zhang       ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
32529b3c8a1SHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 1st-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
326c9681e5dSHong Zhang     }
327c9681e5dSHong Zhang   }
328c9681e5dSHong Zhang 
329c9681e5dSHong Zhang   if (ts->vecs_sensi2) { /* U_{n+1} */
330c9681e5dSHong Zhang     /* Get w1 at t_{n+1} from TLM matrix */
331c9681e5dSHong Zhang     ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
332c9681e5dSHong Zhang     ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
333c9681e5dSHong Zhang     /* lambda_s^T F_UU w_1 */
33482ad9101SHong Zhang     ierr = TSComputeIHessianProductFunctionUU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
335c9681e5dSHong Zhang     /* lambda_s^T F_UP w_2 */
33682ad9101SHong Zhang     ierr = TSComputeIHessianProductFunctionUP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
337c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */
338c9681e5dSHong Zhang       ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
3391a352fa8SHong Zhang       ierr = VecScale(VecsSensi2Temp[nadj],1./adjoint_time_step);CHKERRQ(ierr);
34033f72c5dSHong Zhang       ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
341c9681e5dSHong Zhang       if (ts->vecs_fup) {
34233f72c5dSHong Zhang         ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
343c9681e5dSHong Zhang       }
344c9681e5dSHong Zhang     }
345c9681e5dSHong Zhang     /* Solve stage equation LHS X = RHS for second-order adjoint */
346c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
34705c9950eSHong Zhang       KSPConvergedReason kspreason;
348c9681e5dSHong Zhang       ierr = KSPSolveTranspose(ksp,VecsSensi2Temp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr);
34905c9950eSHong Zhang       ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
35005c9950eSHong Zhang       if (kspreason < 0) {
35105c9950eSHong Zhang         ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
35229b3c8a1SHong Zhang         ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 2nd-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
35305c9950eSHong Zhang       }
354c9681e5dSHong Zhang     }
355c9681e5dSHong Zhang   }
356c9681e5dSHong Zhang 
357c9681e5dSHong Zhang   /* Update sensitivities, and evaluate integrals if there is any */
358077c4feaSHong Zhang   if (!isexplicitode) {
3593e05ceb1SHong Zhang     th->shift = 0.0;
36082ad9101SHong Zhang     ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
36104f7482eSHong Zhang     ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
362c9681e5dSHong Zhang     ierr = MatScale(J,-1.);CHKERRQ(ierr);
363c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
36433f72c5dSHong Zhang       /* Add f_U \lambda_s to the original RHS */
365c9681e5dSHong Zhang       ierr = MatMultTransposeAdd(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
3661a352fa8SHong Zhang       ierr = VecScale(VecsSensiTemp[nadj],adjoint_time_step);CHKERRQ(ierr);
367c9681e5dSHong Zhang       ierr = VecCopy(VecsSensiTemp[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr);
368c9681e5dSHong Zhang       if (ts->vecs_sensi2) {
369c9681e5dSHong Zhang         ierr = MatMultTransposeAdd(J,VecsDeltaLam2[nadj],VecsSensi2Temp[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
3701a352fa8SHong Zhang         ierr = VecScale(VecsSensi2Temp[nadj],adjoint_time_step);CHKERRQ(ierr);
371c9681e5dSHong Zhang         ierr = VecCopy(VecsSensi2Temp[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr);
372c9681e5dSHong Zhang       }
373c9681e5dSHong Zhang     }
374077c4feaSHong Zhang   }
375c9681e5dSHong Zhang   if (ts->vecs_sensip) {
37682ad9101SHong Zhang     ierr = VecAXPBYPCZ(th->Xdot,-1./adjoint_time_step,1.0/adjoint_time_step,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
37782ad9101SHong 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 */
3787207e0fdSHong Zhang     if (quadts) {
37982ad9101SHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
3807207e0fdSHong Zhang     }
381c9681e5dSHong Zhang     if (ts->vecs_sensi2p) {
382c9681e5dSHong Zhang       /* lambda_s^T F_PU w_1 */
38382ad9101SHong Zhang       ierr = TSComputeIHessianProductFunctionPU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
38433f72c5dSHong Zhang       /* lambda_s^T F_PP w_2 */
38582ad9101SHong Zhang       ierr = TSComputeIHessianProductFunctionPP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
386c9681e5dSHong Zhang     }
387cd4cee2dSHong Zhang 
388c9681e5dSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
389c9681e5dSHong Zhang       ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
3901a352fa8SHong Zhang       ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr);
391cd4cee2dSHong Zhang       if (quadJp) {
392cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
393cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
3941a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step,ts->vec_drdp_col);CHKERRQ(ierr);
395cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
396cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
39733f72c5dSHong Zhang       }
398c9681e5dSHong Zhang       if (ts->vecs_sensi2p) {
399c9681e5dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
4001a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,VecsDeltaMu2[nadj]);CHKERRQ(ierr);
401c9681e5dSHong Zhang         if (ts->vecs_fpu) {
4021a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,ts->vecs_fpu[nadj]);CHKERRQ(ierr);
403c9681e5dSHong Zhang         }
404c9681e5dSHong Zhang         if (ts->vecs_fpp) {
4051a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step,ts->vecs_fpp[nadj]);CHKERRQ(ierr);
406c9681e5dSHong Zhang         }
407c9681e5dSHong Zhang       }
408c9681e5dSHong Zhang     }
409c9681e5dSHong Zhang   }
410c9681e5dSHong Zhang 
411c9681e5dSHong Zhang   if (ts->vecs_sensi2) {
412c9681e5dSHong Zhang     ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
413c9681e5dSHong Zhang     ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
414c9681e5dSHong Zhang   }
415c9681e5dSHong Zhang   th->status = TS_STEP_COMPLETE;
416c9681e5dSHong Zhang   PetscFunctionReturn(0);
417c9681e5dSHong Zhang }
418c9681e5dSHong Zhang 
41942f2b339SBarry Smith static PetscErrorCode TSAdjointStep_Theta(TS ts)
4202ca6e920SHong Zhang {
4212ca6e920SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
422cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
423b5e0532dSHong Zhang   Vec            *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp;
424b5b4017aSHong Zhang   Vec            *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp;
4252ca6e920SHong Zhang   PetscInt       nadj;
4267207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
4272ca6e920SHong Zhang   KSP            ksp;
428b5b4017aSHong Zhang   PetscScalar    *xarr;
4291a352fa8SHong Zhang   PetscReal      adjoint_time_step;
4301a352fa8SHong 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) */
431b5b4017aSHong Zhang   PetscErrorCode ierr;
4322ca6e920SHong Zhang 
4332ca6e920SHong Zhang   PetscFunctionBegin;
434c9681e5dSHong Zhang   if (th->Theta == 1.) {
435c9681e5dSHong Zhang     ierr = TSAdjointStepBEuler_Private(ts);CHKERRQ(ierr);
436c9681e5dSHong Zhang     PetscFunctionReturn(0);
437c9681e5dSHong Zhang   }
4382ca6e920SHong Zhang   th->status = TS_STEP_INCOMPLETE;
439302440fdSBarry Smith   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
440cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
4417207e0fdSHong Zhang   if (quadts) {
442cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
443cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
4447207e0fdSHong Zhang   }
445b5e0532dSHong Zhang   /* If endpoint=1, th->ptime and th->X0 will be used; if endpoint=0, th->stage_time and th->X will be used. */
4461a352fa8SHong Zhang   th->stage_time    = th->endpoint ? ts->ptime : (ts->ptime+(1.-th->Theta)*ts->time_step);
4471a352fa8SHong Zhang   adjoint_ptime     = ts->ptime + ts->time_step;
4481a352fa8SHong Zhang   adjoint_time_step = -ts->time_step;  /* always positive since time_step is negative */
4492ca6e920SHong Zhang 
45082ad9101SHong Zhang   if (!th->endpoint) {
4515072d23cSHong Zhang     /* recover th->X0 using vec_sol and the stage value th->X */
4525072d23cSHong Zhang     ierr = VecAXPBYPCZ(th->X0,1.0/(1.0-th->Theta),th->Theta/(th->Theta-1.0),0,th->X,ts->vec_sol);CHKERRQ(ierr);
45382ad9101SHong Zhang   }
45482ad9101SHong Zhang 
455b5b4017aSHong Zhang   /* Build RHS for first-order adjoint */
45633f72c5dSHong Zhang   /* Cost function has an integral term */
4577207e0fdSHong Zhang   if (quadts) {
45805755b9cSHong Zhang     if (th->endpoint) {
459cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
46005755b9cSHong Zhang     } else {
461cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
46205755b9cSHong Zhang     }
4637207e0fdSHong Zhang   }
46433f72c5dSHong Zhang 
465abc2977eSBarry Smith   for (nadj=0; nadj<ts->numcost; nadj++) {
466b5e0532dSHong Zhang     ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
4671a352fa8SHong Zhang     ierr = VecScale(VecsSensiTemp[nadj],1./(th->Theta*adjoint_time_step));CHKERRQ(ierr);
468cd4cee2dSHong Zhang     if (quadJ) {
469cd4cee2dSHong Zhang       ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
470cd4cee2dSHong Zhang       ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
471cd4cee2dSHong Zhang       ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vec_drdu_col);CHKERRQ(ierr);
472cd4cee2dSHong Zhang       ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
473cd4cee2dSHong Zhang       ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
47436eaed60SHong Zhang     }
4752ca6e920SHong Zhang   }
4763c54f92cSHong Zhang 
477b5b4017aSHong Zhang   /* Build LHS for first-order adjoint */
4781a352fa8SHong Zhang   th->shift = 1./(th->Theta*adjoint_time_step);
4793c54f92cSHong Zhang   if (th->endpoint) {
48004f7482eSHong Zhang     ierr = TSComputeSNESJacobian(ts,ts->vec_sol,J,Jpre);CHKERRQ(ierr);
4813c54f92cSHong Zhang   } else {
48204f7482eSHong Zhang     ierr = TSComputeSNESJacobian(ts,th->X,J,Jpre);CHKERRQ(ierr);
4833c54f92cSHong Zhang   }
484cd4cee2dSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
4852ca6e920SHong Zhang 
486b5b4017aSHong Zhang   /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */
487abc2977eSBarry Smith   for (nadj=0; nadj<ts->numcost; nadj++) {
4881d14d03bSHong Zhang     KSPConvergedReason kspreason;
489b5e0532dSHong Zhang     ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr);
4901d14d03bSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
4911d14d03bSHong Zhang     if (kspreason < 0) {
4921d14d03bSHong Zhang       ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
49329b3c8a1SHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 1st-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
4941d14d03bSHong Zhang     }
4952ca6e920SHong Zhang   }
4963c54f92cSHong Zhang 
4971d14d03bSHong Zhang   /* Second-order adjoint */
498b5b4017aSHong Zhang   if (ts->vecs_sensi2) { /* U_{n+1} */
499b5b4017aSHong Zhang     if (!th->endpoint) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_SUP,"Operation not implemented in TS_Theta");
500b5b4017aSHong Zhang     /* Get w1 at t_{n+1} from TLM matrix */
501b5b4017aSHong Zhang     ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
502b5b4017aSHong Zhang     ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
503b5b4017aSHong Zhang     /* lambda_s^T F_UU w_1 */
504b1e111ebSHong Zhang     ierr = TSComputeIHessianProductFunctionUU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
505b5b4017aSHong Zhang     ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
506b5b4017aSHong Zhang     ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
507b5b4017aSHong Zhang     /* lambda_s^T F_UP w_2 */
508b1e111ebSHong Zhang     ierr = TSComputeIHessianProductFunctionUP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
509b5b4017aSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */
510b5b4017aSHong Zhang       ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr);
5113e05ceb1SHong Zhang       ierr = VecScale(VecsSensi2Temp[nadj],th->shift);CHKERRQ(ierr);
51233f72c5dSHong Zhang       ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
513b5b4017aSHong Zhang       if (ts->vecs_fup) {
51433f72c5dSHong Zhang         ierr = VecAXPY(VecsSensi2Temp[nadj],-1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
515b5b4017aSHong Zhang       }
516b5b4017aSHong Zhang     }
517b5b4017aSHong Zhang     /* Solve stage equation LHS X = RHS for second-order adjoint */
518b5b4017aSHong Zhang     for (nadj=0; nadj<ts->numcost; nadj++) {
5191d14d03bSHong Zhang       KSPConvergedReason kspreason;
5201d14d03bSHong Zhang       ierr = KSPSolveTranspose(ksp,VecsSensi2Temp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr);
5211d14d03bSHong Zhang       ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
5221d14d03bSHong Zhang       if (kspreason < 0) {
5231d14d03bSHong Zhang         ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE;
52429b3c8a1SHong Zhang         ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping 2nd-order adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr);
5251d14d03bSHong Zhang       }
526b5b4017aSHong Zhang     }
527b5b4017aSHong Zhang   }
528b5b4017aSHong Zhang 
52936eaed60SHong Zhang   /* Update sensitivities, and evaluate integrals if there is any */
5301d14d03bSHong Zhang   if (th->endpoint) { /* two-stage Theta methods with th->Theta!=1, th->Theta==1 leads to BEuler */
5311a352fa8SHong Zhang     th->shift      = 1./((th->Theta-1.)*adjoint_time_step);
5321a352fa8SHong Zhang     th->stage_time = adjoint_ptime;
53304f7482eSHong Zhang     ierr           = TSComputeSNESJacobian(ts,th->X0,J,Jpre);CHKERRQ(ierr);
53404f7482eSHong Zhang     ierr           = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
53533f72c5dSHong Zhang     /* R_U at t_n */
5367207e0fdSHong Zhang     if (quadts) {
5371a352fa8SHong Zhang       ierr = TSComputeRHSJacobian(quadts,adjoint_ptime,th->X0,quadJ,NULL);CHKERRQ(ierr);
5387207e0fdSHong Zhang     }
539abc2977eSBarry Smith     for (nadj=0; nadj<ts->numcost; nadj++) {
540b5e0532dSHong Zhang       ierr = MatMultTranspose(J,VecsDeltaLam[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr);
541cd4cee2dSHong Zhang       if (quadJ) {
542cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
543cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
544cd4cee2dSHong Zhang         ierr = VecAXPY(ts->vecs_sensi[nadj],-1.,ts->vec_drdu_col);CHKERRQ(ierr);
545cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
546cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
547b5b4017aSHong Zhang       }
5483e05ceb1SHong Zhang       ierr = VecScale(ts->vecs_sensi[nadj],1./th->shift);CHKERRQ(ierr);
549b5b4017aSHong Zhang     }
5501d14d03bSHong Zhang 
5511d14d03bSHong Zhang     /* Second-order adjoint */
5521d14d03bSHong Zhang     if (ts->vecs_sensi2) { /* U_n */
553b5b4017aSHong Zhang       /* Get w1 at t_n from TLM matrix */
554b5b4017aSHong Zhang       ierr = MatDenseGetColumn(th->MatFwdSensip0,0,&xarr);CHKERRQ(ierr);
555b5b4017aSHong Zhang       ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
556b5b4017aSHong Zhang       /* lambda_s^T F_UU w_1 */
5571a352fa8SHong Zhang       ierr = TSComputeIHessianProductFunctionUU(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr);
558b5b4017aSHong Zhang       ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
55933f72c5dSHong Zhang       ierr = MatDenseRestoreColumn(th->MatFwdSensip0,&xarr);CHKERRQ(ierr);
560b5b4017aSHong Zhang       /* lambda_s^T F_UU w_2 */
5611a352fa8SHong Zhang       ierr = TSComputeIHessianProductFunctionUP(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr);
562b5b4017aSHong Zhang       for (nadj=0; nadj<ts->numcost; nadj++) {
56333f72c5dSHong 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  */
564b5b4017aSHong Zhang         ierr = MatMultTranspose(J,VecsDeltaLam2[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr);
56533f72c5dSHong Zhang         ierr = VecAXPY(ts->vecs_sensi2[nadj],1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr);
566b5b4017aSHong Zhang         if (ts->vecs_fup) {
56733f72c5dSHong Zhang           ierr = VecAXPY(ts->vecs_sensi2[nadj],1.,ts->vecs_fup[nadj]);CHKERRQ(ierr);
568b5b4017aSHong Zhang         }
5693e05ceb1SHong Zhang         ierr = VecScale(ts->vecs_sensi2[nadj],1./th->shift);CHKERRQ(ierr);
570b5b4017aSHong Zhang       }
571b5e0532dSHong Zhang     }
5723fd52205SHong Zhang 
573c586f2e8SHong Zhang     th->stage_time = ts->ptime; /* recover the old value */
574c586f2e8SHong Zhang 
5753fd52205SHong Zhang     if (ts->vecs_sensip) { /* sensitivities wrt parameters */
576b5b4017aSHong Zhang       /* U_{n+1} */
57782ad9101SHong Zhang       th->shift = 1.0/(adjoint_time_step*th->Theta);
57882ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
5791a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,ts->vec_sol,th->Xdot,-1./(th->Theta*adjoint_time_step),ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
5807207e0fdSHong Zhang       if (quadts) {
581cd4cee2dSHong Zhang         ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
5827207e0fdSHong Zhang       }
583abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
584b5e0532dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
5851a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step*th->Theta,VecsDeltaMu[nadj]);CHKERRQ(ierr);
5863b711c3fSHong Zhang         if (quadJp) {
5873b711c3fSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
5883b711c3fSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
5893b711c3fSHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step*th->Theta,ts->vec_drdp_col);CHKERRQ(ierr);
5903b711c3fSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
5913b711c3fSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
5923b711c3fSHong Zhang         }
5933fd52205SHong Zhang       }
59433f72c5dSHong Zhang       if (ts->vecs_sensi2p) { /* second-order */
59533f72c5dSHong Zhang         /* Get w1 at t_{n+1} from TLM matrix */
59633f72c5dSHong Zhang         ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr);
59733f72c5dSHong Zhang         ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
598b5b4017aSHong Zhang         /* lambda_s^T F_PU w_1 */
599b1e111ebSHong Zhang         ierr = TSComputeIHessianProductFunctionPU(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
60033f72c5dSHong Zhang         ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
60133f72c5dSHong Zhang         ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
60233f72c5dSHong Zhang 
603b5b4017aSHong Zhang         /* lambda_s^T F_PP w_2 */
604b1e111ebSHong Zhang         ierr = TSComputeIHessianProductFunctionPP(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
605b5b4017aSHong Zhang         for (nadj=0; nadj<ts->numcost; nadj++) {
60633f72c5dSHong 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)  */
607b5b4017aSHong Zhang           ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
6081a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,VecsDeltaMu2[nadj]);CHKERRQ(ierr);
609b5b4017aSHong Zhang           if (ts->vecs_fpu) {
6101a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,ts->vecs_fpu[nadj]);CHKERRQ(ierr);
611b5b4017aSHong Zhang           }
612b5b4017aSHong Zhang           if (ts->vecs_fpp) {
6131a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*th->Theta,ts->vecs_fpp[nadj]);CHKERRQ(ierr);
614b5b4017aSHong Zhang           }
615b5b4017aSHong Zhang         }
616b5b4017aSHong Zhang       }
617b5b4017aSHong Zhang 
618b5b4017aSHong Zhang       /* U_s */
61982ad9101SHong Zhang       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
6201a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,adjoint_ptime,th->X0,th->Xdot,1./((th->Theta-1.0)*adjoint_time_step),ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
6217207e0fdSHong Zhang       if (quadts) {
6221a352fa8SHong Zhang         ierr = TSComputeRHSJacobianP(quadts,adjoint_ptime,th->X0,quadJp);CHKERRQ(ierr);
6237207e0fdSHong Zhang       }
624abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
625b5e0532dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
6261a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step*(1.0-th->Theta),VecsDeltaMu[nadj]);CHKERRQ(ierr);
6273b711c3fSHong Zhang         if (quadJp) {
6283b711c3fSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
6293b711c3fSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
6303b711c3fSHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step*(1.0-th->Theta),ts->vec_drdp_col);CHKERRQ(ierr);
6313b711c3fSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
6323b711c3fSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
6333b711c3fSHong Zhang         }
63433f72c5dSHong Zhang         if (ts->vecs_sensi2p) { /* second-order */
63533f72c5dSHong Zhang           /* Get w1 at t_n from TLM matrix */
63633f72c5dSHong Zhang           ierr = MatDenseGetColumn(th->MatFwdSensip0,0,&xarr);CHKERRQ(ierr);
63733f72c5dSHong Zhang           ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
638b5b4017aSHong Zhang           /* lambda_s^T F_PU w_1 */
6391a352fa8SHong Zhang           ierr = TSComputeIHessianProductFunctionPU(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr);
64033f72c5dSHong Zhang           ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
64133f72c5dSHong Zhang           ierr = MatDenseRestoreColumn(th->MatFwdSensip0,&xarr);CHKERRQ(ierr);
642b5b4017aSHong Zhang           /* lambda_s^T F_PP w_2 */
6431a352fa8SHong Zhang           ierr = TSComputeIHessianProductFunctionPP(ts,adjoint_ptime,th->X0,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr);
644b5b4017aSHong Zhang           for (nadj=0; nadj<ts->numcost; nadj++) {
64533f72c5dSHong 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) */
646b5b4017aSHong Zhang             ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr);
6471a352fa8SHong Zhang             ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),VecsDeltaMu2[nadj]);CHKERRQ(ierr);
648b5b4017aSHong Zhang             if (ts->vecs_fpu) {
6491a352fa8SHong Zhang               ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),ts->vecs_fpu[nadj]);CHKERRQ(ierr);
650b5e0532dSHong Zhang             }
651b5b4017aSHong Zhang             if (ts->vecs_fpp) {
6521a352fa8SHong Zhang               ierr = VecAXPY(ts->vecs_sensi2p[nadj],-adjoint_time_step*(1.0-th->Theta),ts->vecs_fpp[nadj]);CHKERRQ(ierr);
653b5b4017aSHong Zhang             }
65436eaed60SHong Zhang           }
65536eaed60SHong Zhang         }
6563fd52205SHong Zhang       }
657b5e0532dSHong Zhang     }
6583fd52205SHong Zhang   } else { /* one-stage case */
6593e05ceb1SHong Zhang     th->shift = 0.0;
66004f7482eSHong Zhang     ierr      = TSComputeSNESJacobian(ts,th->X,J,Jpre);CHKERRQ(ierr); /* get -f_y */
66104f7482eSHong Zhang     ierr      = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
6627207e0fdSHong Zhang     if (quadts) {
663cd4cee2dSHong Zhang       ierr  = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
6647207e0fdSHong Zhang     }
665abc2977eSBarry Smith     for (nadj=0; nadj<ts->numcost; nadj++) {
666b5e0532dSHong Zhang       ierr = MatMultTranspose(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr);
6671a352fa8SHong Zhang       ierr = VecAXPY(ts->vecs_sensi[nadj],-adjoint_time_step,VecsSensiTemp[nadj]);CHKERRQ(ierr);
668cd4cee2dSHong Zhang       if (quadJ) {
669cd4cee2dSHong Zhang         ierr = MatDenseGetColumn(quadJ,nadj,&xarr);CHKERRQ(ierr);
670cd4cee2dSHong Zhang         ierr = VecPlaceArray(ts->vec_drdu_col,xarr);CHKERRQ(ierr);
6711a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensi[nadj],adjoint_time_step,ts->vec_drdu_col);CHKERRQ(ierr);
672cd4cee2dSHong Zhang         ierr = VecResetArray(ts->vec_drdu_col);CHKERRQ(ierr);
673cd4cee2dSHong Zhang         ierr = MatDenseRestoreColumn(quadJ,&xarr);CHKERRQ(ierr);
67436eaed60SHong Zhang       }
6752ca6e920SHong Zhang     }
6763fd52205SHong Zhang     if (ts->vecs_sensip) {
67782ad9101SHong Zhang       th->shift = 1.0/(adjoint_time_step*th->Theta);
67882ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
6793e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,th->X,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
6807207e0fdSHong Zhang       if (quadts) {
681cd4cee2dSHong Zhang         ierr = TSComputeRHSJacobianP(quadts,th->stage_time,th->X,quadJp);CHKERRQ(ierr);
6827207e0fdSHong Zhang       }
683abc2977eSBarry Smith       for (nadj=0; nadj<ts->numcost; nadj++) {
68433f72c5dSHong Zhang         ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr);
6851a352fa8SHong Zhang         ierr = VecAXPY(ts->vecs_sensip[nadj],-adjoint_time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr);
686cd4cee2dSHong Zhang         if (quadJp) {
687cd4cee2dSHong Zhang           ierr = MatDenseGetColumn(quadJp,nadj,&xarr);CHKERRQ(ierr);
688cd4cee2dSHong Zhang           ierr = VecPlaceArray(ts->vec_drdp_col,xarr);CHKERRQ(ierr);
6891a352fa8SHong Zhang           ierr = VecAXPY(ts->vecs_sensip[nadj],adjoint_time_step,ts->vec_drdp_col);CHKERRQ(ierr);
690cd4cee2dSHong Zhang           ierr = VecResetArray(ts->vec_drdp_col);CHKERRQ(ierr);
691cd4cee2dSHong Zhang           ierr = MatDenseRestoreColumn(quadJp,&xarr);CHKERRQ(ierr);
69236eaed60SHong Zhang         }
69336eaed60SHong Zhang       }
6943fd52205SHong Zhang     }
6952ca6e920SHong Zhang   }
6962ca6e920SHong Zhang 
6972ca6e920SHong Zhang   th->status = TS_STEP_COMPLETE;
6982ca6e920SHong Zhang   PetscFunctionReturn(0);
6992ca6e920SHong Zhang }
7002ca6e920SHong Zhang 
701cd652676SJed Brown static PetscErrorCode TSInterpolate_Theta(TS ts,PetscReal t,Vec X)
702cd652676SJed Brown {
703cd652676SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
704be5899b3SLisandro Dalcin   PetscReal      dt  = t - ts->ptime;
705cd652676SJed Brown   PetscErrorCode ierr;
706cd652676SJed Brown 
707cd652676SJed Brown   PetscFunctionBegin;
708a43b19c4SJed Brown   ierr = VecCopy(ts->vec_sol,th->X);CHKERRQ(ierr);
709be5899b3SLisandro Dalcin   if (th->endpoint) dt *= th->Theta;
710be5899b3SLisandro Dalcin   ierr = VecWAXPY(X,dt,th->Xdot,th->X);CHKERRQ(ierr);
711cd652676SJed Brown   PetscFunctionReturn(0);
712cd652676SJed Brown }
713cd652676SJed Brown 
7141566a47fSLisandro Dalcin static PetscErrorCode TSEvaluateWLTE_Theta(TS ts,NormType wnormtype,PetscInt *order,PetscReal *wlte)
7151566a47fSLisandro Dalcin {
7161566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
7171566a47fSLisandro Dalcin   Vec            X = ts->vec_sol;      /* X = solution */
7181566a47fSLisandro Dalcin   Vec            Y = th->vec_lte_work; /* Y = X + LTE  */
7197453f775SEmil Constantinescu   PetscReal      wltea,wlter;
7201566a47fSLisandro Dalcin   PetscErrorCode ierr;
7211566a47fSLisandro Dalcin 
7221566a47fSLisandro Dalcin   PetscFunctionBegin;
7232ffb9264SLisandro Dalcin   if (!th->vec_sol_prev) {*wlte = -1; PetscFunctionReturn(0);}
7241566a47fSLisandro Dalcin   /* Cannot compute LTE in first step or in restart after event */
725fecfb714SLisandro Dalcin   if (ts->steprestart) {*wlte = -1; PetscFunctionReturn(0);}
7261566a47fSLisandro Dalcin   /* Compute LTE using backward differences with non-constant time step */
727fecfb714SLisandro Dalcin   {
728be5899b3SLisandro Dalcin     PetscReal   h = ts->time_step, h_prev = ts->ptime - ts->ptime_prev;
729be5899b3SLisandro Dalcin     PetscReal   a = 1 + h_prev/h;
7301566a47fSLisandro Dalcin     PetscScalar scal[3]; Vec vecs[3];
7311566a47fSLisandro Dalcin     scal[0] = +1/a; scal[1] = -1/(a-1); scal[2] = +1/(a*(a-1));
7321566a47fSLisandro Dalcin     vecs[0] = X;    vecs[1] = th->X0;   vecs[2] = th->vec_sol_prev;
7331566a47fSLisandro Dalcin     ierr = VecCopy(X,Y);CHKERRQ(ierr);
7341566a47fSLisandro Dalcin     ierr = VecMAXPY(Y,3,scal,vecs);CHKERRQ(ierr);
7357453f775SEmil Constantinescu     ierr = TSErrorWeightedNorm(ts,X,Y,wnormtype,wlte,&wltea,&wlter);CHKERRQ(ierr);
7361566a47fSLisandro Dalcin   }
7371566a47fSLisandro Dalcin   if (order) *order = 2;
7381566a47fSLisandro Dalcin   PetscFunctionReturn(0);
7391566a47fSLisandro Dalcin }
7401566a47fSLisandro Dalcin 
7411566a47fSLisandro Dalcin static PetscErrorCode TSRollBack_Theta(TS ts)
7421566a47fSLisandro Dalcin {
7431566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
7447207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
7451566a47fSLisandro Dalcin   PetscErrorCode ierr;
7461566a47fSLisandro Dalcin 
7471566a47fSLisandro Dalcin   PetscFunctionBegin;
7481566a47fSLisandro Dalcin   ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr);
749cd4cee2dSHong Zhang   if (quadts && ts->costintegralfwd) {
750cd4cee2dSHong Zhang     ierr = VecCopy(th->VecCostIntegral0,quadts->vec_sol);CHKERRQ(ierr);
7511566a47fSLisandro Dalcin   }
752715f1b00SHong Zhang   th->status = TS_STEP_INCOMPLETE;
75313b1b0ffSHong Zhang   if (ts->mat_sensip) {
75413b1b0ffSHong Zhang     ierr = MatCopy(th->MatFwdSensip0,ts->mat_sensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7556f92202bSHong Zhang   }
7567207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
7577207e0fdSHong Zhang     ierr = MatCopy(th->MatIntegralSensip0,quadts->mat_sensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7586f92202bSHong Zhang   }
759715f1b00SHong Zhang   PetscFunctionReturn(0);
760715f1b00SHong Zhang }
761715f1b00SHong Zhang 
762715f1b00SHong Zhang static PetscErrorCode TSForwardStep_Theta(TS ts)
763715f1b00SHong Zhang {
764715f1b00SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
765cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
76613b1b0ffSHong Zhang   Mat            MatDeltaFwdSensip = th->MatDeltaFwdSensip;
767b5b4017aSHong Zhang   Vec            VecDeltaFwdSensipCol = th->VecDeltaFwdSensipCol;
7687207e0fdSHong Zhang   PetscInt       ntlm;
769715f1b00SHong Zhang   KSP            ksp;
7707207e0fdSHong Zhang   Mat            J,Jpre,quadJ = NULL,quadJp = NULL;
77113b1b0ffSHong Zhang   PetscScalar    *barr,*xarr;
7721a352fa8SHong Zhang   PetscReal      previous_shift;
773715f1b00SHong Zhang   PetscErrorCode ierr;
774715f1b00SHong Zhang 
775715f1b00SHong Zhang   PetscFunctionBegin;
7761a352fa8SHong Zhang   previous_shift = th->shift;
77713b1b0ffSHong Zhang   ierr = MatCopy(ts->mat_sensip,th->MatFwdSensip0,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
77813b1b0ffSHong Zhang 
7797207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
7807207e0fdSHong Zhang     ierr = MatCopy(quadts->mat_sensip,th->MatIntegralSensip0,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
7816f92202bSHong Zhang   }
782715f1b00SHong Zhang   ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr);
783cd4cee2dSHong Zhang   ierr = TSGetIJacobian(ts,&J,&Jpre,NULL,NULL);CHKERRQ(ierr);
7847207e0fdSHong Zhang   if (quadts) {
785cd4cee2dSHong Zhang     ierr = TSGetRHSJacobian(quadts,&quadJ,NULL,NULL,NULL);CHKERRQ(ierr);
786cd4cee2dSHong Zhang     ierr = TSGetRHSJacobianP(quadts,&quadJp,NULL,NULL);CHKERRQ(ierr);
7877207e0fdSHong Zhang   }
788715f1b00SHong Zhang 
789715f1b00SHong Zhang   /* Build RHS */
790715f1b00SHong Zhang   if (th->endpoint) { /* 2-stage method*/
7911a352fa8SHong Zhang     th->shift = 1./((th->Theta-1.)*th->time_step0);
7921a352fa8SHong Zhang     ierr = TSComputeIJacobian(ts,th->ptime0,th->X0,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
79313b1b0ffSHong Zhang     ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr);
79413b1b0ffSHong Zhang     ierr = MatScale(MatDeltaFwdSensip,(th->Theta-1.)/th->Theta);CHKERRQ(ierr);
795715f1b00SHong Zhang 
796022c081aSHong Zhang     /* Add the f_p forcing terms */
7970e11c21fSHong Zhang     if (ts->Jacp) {
79882ad9101SHong Zhang       ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr);
7991a352fa8SHong Zhang       ierr = TSComputeIJacobianP(ts,th->ptime0,th->X0,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
80033f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,(th->Theta-1.)/th->Theta,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
80182ad9101SHong Zhang       th->shift = previous_shift;
80282ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,ts->vec_sol);CHKERRQ(ierr);
8033e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,ts->vec_sol,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
80433f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,-1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
8050e11c21fSHong Zhang     }
806715f1b00SHong Zhang   } else { /* 1-stage method */
8073e05ceb1SHong Zhang     th->shift = 0.0;
8083e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
80913b1b0ffSHong Zhang     ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr);
81013b1b0ffSHong Zhang     ierr = MatScale(MatDeltaFwdSensip,-1.);CHKERRQ(ierr);
81113b1b0ffSHong Zhang 
812022c081aSHong Zhang     /* Add the f_p forcing terms */
8130e11c21fSHong Zhang     if (ts->Jacp) {
81482ad9101SHong Zhang       th->shift = previous_shift;
81582ad9101SHong Zhang       ierr = VecAXPBYPCZ(th->Xdot,-th->shift,th->shift,0,th->X0,th->X);CHKERRQ(ierr);
8163e05ceb1SHong Zhang       ierr = TSComputeIJacobianP(ts,th->stage_time,th->X,th->Xdot,th->shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr);
81733f72c5dSHong Zhang       ierr = MatAXPY(MatDeltaFwdSensip,-1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr);
818715f1b00SHong Zhang     }
8190e11c21fSHong Zhang   }
820715f1b00SHong Zhang 
821715f1b00SHong Zhang   /* Build LHS */
8221a352fa8SHong Zhang   th->shift = previous_shift; /* recover the previous shift used in TSStep_Theta() */
823715f1b00SHong Zhang   if (th->endpoint) {
8243e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,ts->vec_sol,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
825715f1b00SHong Zhang   } else {
8263e05ceb1SHong Zhang     ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,th->shift,J,Jpre,PETSC_FALSE);CHKERRQ(ierr);
827715f1b00SHong Zhang   }
828cd4cee2dSHong Zhang   ierr = KSPSetOperators(ksp,J,Jpre);CHKERRQ(ierr);
829715f1b00SHong Zhang 
830715f1b00SHong Zhang   /*
831715f1b00SHong Zhang     Evaluate the first stage of integral gradients with the 2-stage method:
832c9ad9de0SHong Zhang     drdu|t_n*S(t_n) + drdp|t_n
833715f1b00SHong Zhang     This is done before the linear solve because the sensitivity variable S(t_n) will be propagated to S(t_{n+1})
834715f1b00SHong Zhang   */
835715f1b00SHong Zhang   if (th->endpoint) { /* 2-stage method only */
8367207e0fdSHong Zhang     if (quadts && quadts->mat_sensip) {
8371a352fa8SHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->ptime0,th->X0,quadJ,NULL);CHKERRQ(ierr);
8381a352fa8SHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->ptime0,th->X0,quadJp);CHKERRQ(ierr);
8397207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8407207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8411a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0*(1.-th->Theta),th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
842715f1b00SHong Zhang     }
843715f1b00SHong Zhang   }
844715f1b00SHong Zhang 
845715f1b00SHong Zhang   /* Solve the tangent linear equation for forward sensitivities to parameters */
846022c081aSHong Zhang   for (ntlm=0; ntlm<th->num_tlm; ntlm++) {
847b5b4017aSHong Zhang     KSPConvergedReason kspreason;
84813b1b0ffSHong Zhang     ierr = MatDenseGetColumn(MatDeltaFwdSensip,ntlm,&barr);CHKERRQ(ierr);
849b5b4017aSHong Zhang     ierr = VecPlaceArray(VecDeltaFwdSensipCol,barr);CHKERRQ(ierr);
850715f1b00SHong Zhang     if (th->endpoint) {
85113b1b0ffSHong Zhang       ierr = MatDenseGetColumn(ts->mat_sensip,ntlm,&xarr);CHKERRQ(ierr);
852b5b4017aSHong Zhang       ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr);
853b5b4017aSHong Zhang       ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,ts->vec_sensip_col);CHKERRQ(ierr);
854b5b4017aSHong Zhang       ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr);
85513b1b0ffSHong Zhang       ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr);
856715f1b00SHong Zhang     } else {
857b5b4017aSHong Zhang       ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,VecDeltaFwdSensipCol);CHKERRQ(ierr);
858715f1b00SHong Zhang     }
859b5b4017aSHong Zhang     ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr);
860b5b4017aSHong Zhang     if (kspreason < 0) {
861b5b4017aSHong Zhang       ts->reason = TSFORWARD_DIVERGED_LINEAR_SOLVE;
862b5b4017aSHong Zhang       ierr = PetscInfo2(ts,"Step=%D, %Dth tangent linear solve, linear solve fails, stopping tangent linear solve\n",ts->steps,ntlm);CHKERRQ(ierr);
863b5b4017aSHong Zhang     }
864b5b4017aSHong Zhang     ierr = VecResetArray(VecDeltaFwdSensipCol);CHKERRQ(ierr);
86513b1b0ffSHong Zhang     ierr = MatDenseRestoreColumn(MatDeltaFwdSensip,&barr);CHKERRQ(ierr);
866715f1b00SHong Zhang   }
867715f1b00SHong Zhang 
86813b1b0ffSHong Zhang   /*
86913b1b0ffSHong Zhang     Evaluate the second stage of integral gradients with the 2-stage method:
870c9ad9de0SHong Zhang     drdu|t_{n+1}*S(t_{n+1}) + drdp|t_{n+1}
87113b1b0ffSHong Zhang   */
8727207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
87313b1b0ffSHong Zhang     if (!th->endpoint) {
8747207e0fdSHong Zhang       ierr = MatAXPY(ts->mat_sensip,1,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); /* stage sensitivity */
875cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,th->X,quadJ,NULL);CHKERRQ(ierr);
876cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,th->X,quadJp);CHKERRQ(ierr);
8777207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8787207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8791a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0,th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
88013b1b0ffSHong Zhang       ierr = MatAXPY(ts->mat_sensip,(1.-th->Theta)/th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
88113b1b0ffSHong Zhang     } else {
882cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobian(quadts,th->stage_time,ts->vec_sol,quadJ,NULL);CHKERRQ(ierr);
883cd4cee2dSHong Zhang       ierr = TSComputeRHSJacobianP(quadts,th->stage_time,ts->vec_sol,quadJp);CHKERRQ(ierr);
8847207e0fdSHong Zhang       ierr = MatTransposeMatMult(ts->mat_sensip,quadJ,MAT_REUSE_MATRIX,PETSC_DEFAULT,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
8857207e0fdSHong Zhang       ierr = MatAXPY(th->MatIntegralSensipTemp,1,quadJp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
8861a352fa8SHong Zhang       ierr = MatAXPY(quadts->mat_sensip,th->time_step0*th->Theta,th->MatIntegralSensipTemp,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
88713b1b0ffSHong Zhang     }
88813b1b0ffSHong Zhang   } else {
88913b1b0ffSHong Zhang     if (!th->endpoint) {
89013b1b0ffSHong Zhang       ierr = MatAXPY(ts->mat_sensip,1./th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr);
891715f1b00SHong Zhang     }
892715f1b00SHong Zhang   }
8931566a47fSLisandro Dalcin   PetscFunctionReturn(0);
8941566a47fSLisandro Dalcin }
8951566a47fSLisandro Dalcin 
896*cc4f23bcSHong Zhang static PetscErrorCode TSForwardGetStages_Theta(TS ts,PetscInt *ns,Mat *stagesensip[])
8976affb6f8SHong Zhang {
8986affb6f8SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
8996affb6f8SHong Zhang 
9006affb6f8SHong Zhang   PetscFunctionBegin;
901*cc4f23bcSHong Zhang   if (ns) *ns = 2;
9025072d23cSHong Zhang   if (stagesensip) {
903*cc4f23bcSHong Zhang     if (!th->endpoint && th->Theta != 1.0) {
904*cc4f23bcSHong Zhang       th->MatFwdStages[0] = th->MatFwdSensip0;
905*cc4f23bcSHong Zhang       th->MatFwdStages[1] = th->MatDeltaFwdSensip;
906*cc4f23bcSHong Zhang     } else {
907*cc4f23bcSHong Zhang       th->MatFwdStages[0] = th->MatFwdSensip0;
908*cc4f23bcSHong Zhang       th->MatFwdStages[1] = ts->mat_sensip; /* stiffly accurate */
909*cc4f23bcSHong Zhang     }
910*cc4f23bcSHong Zhang     *stagesensip = th->MatFwdStages;
9115072d23cSHong Zhang   }
9126affb6f8SHong Zhang   PetscFunctionReturn(0);
9136affb6f8SHong Zhang }
9146affb6f8SHong Zhang 
915316643e7SJed Brown /*------------------------------------------------------------*/
916277b19d0SLisandro Dalcin static PetscErrorCode TSReset_Theta(TS ts)
917316643e7SJed Brown {
918316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
919316643e7SJed Brown   PetscErrorCode ierr;
920316643e7SJed Brown 
921316643e7SJed Brown   PetscFunctionBegin;
9226bf464f9SBarry Smith   ierr = VecDestroy(&th->X);CHKERRQ(ierr);
9236bf464f9SBarry Smith   ierr = VecDestroy(&th->Xdot);CHKERRQ(ierr);
9243b1890cdSShri Abhyankar   ierr = VecDestroy(&th->X0);CHKERRQ(ierr);
925eb284becSJed Brown   ierr = VecDestroy(&th->affine);CHKERRQ(ierr);
9261566a47fSLisandro Dalcin 
9271566a47fSLisandro Dalcin   ierr = VecDestroy(&th->vec_sol_prev);CHKERRQ(ierr);
9281566a47fSLisandro Dalcin   ierr = VecDestroy(&th->vec_lte_work);CHKERRQ(ierr);
9291566a47fSLisandro Dalcin 
930b1cb36f3SHong Zhang   ierr = VecDestroy(&th->VecCostIntegral0);CHKERRQ(ierr);
931277b19d0SLisandro Dalcin   PetscFunctionReturn(0);
932277b19d0SLisandro Dalcin }
933277b19d0SLisandro Dalcin 
934ece46509SHong Zhang static PetscErrorCode TSAdjointReset_Theta(TS ts)
935ece46509SHong Zhang {
936ece46509SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
937ece46509SHong Zhang   PetscErrorCode ierr;
938ece46509SHong Zhang 
939ece46509SHong Zhang   PetscFunctionBegin;
940ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr);
941ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr);
942ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr);
943ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr);
944ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr);
945ece46509SHong Zhang   ierr = VecDestroyVecs(ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr);
946ece46509SHong Zhang   PetscFunctionReturn(0);
947ece46509SHong Zhang }
948ece46509SHong Zhang 
949277b19d0SLisandro Dalcin static PetscErrorCode TSDestroy_Theta(TS ts)
950277b19d0SLisandro Dalcin {
951277b19d0SLisandro Dalcin   PetscErrorCode ierr;
952277b19d0SLisandro Dalcin 
953277b19d0SLisandro Dalcin   PetscFunctionBegin;
954277b19d0SLisandro Dalcin   ierr = TSReset_Theta(ts);CHKERRQ(ierr);
955b3a6b972SJed Brown   if (ts->dm) {
956b3a6b972SJed Brown     ierr = DMCoarsenHookRemove(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr);
957b3a6b972SJed Brown     ierr = DMSubDomainHookRemove(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr);
958b3a6b972SJed Brown   }
959277b19d0SLisandro Dalcin   ierr = PetscFree(ts->data);CHKERRQ(ierr);
960bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",NULL);CHKERRQ(ierr);
961bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",NULL);CHKERRQ(ierr);
962bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",NULL);CHKERRQ(ierr);
963bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",NULL);CHKERRQ(ierr);
964316643e7SJed Brown   PetscFunctionReturn(0);
965316643e7SJed Brown }
966316643e7SJed Brown 
967316643e7SJed Brown /*
968316643e7SJed Brown   This defines the nonlinear equation that is to be solved with SNES
9692b5a38e1SLisandro Dalcin   G(U) = F[t0+Theta*dt, U, (U-U0)*shift] = 0
9700fd10508SMatthew Knepley 
9710fd10508SMatthew Knepley   Note that U here is the stage argument. This means that U = U_{n+1} only if endpoint = true,
9720fd10508SMatthew Knepley   otherwise U = theta U_{n+1} + (1 - theta) U0, which for the case of implicit midpoint is
9730fd10508SMatthew Knepley   U = (U_{n+1} + U0)/2
974316643e7SJed Brown */
9750f5c6efeSJed Brown static PetscErrorCode SNESTSFormFunction_Theta(SNES snes,Vec x,Vec y,TS ts)
976316643e7SJed Brown {
977316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
978316643e7SJed Brown   PetscErrorCode ierr;
9797445fe48SJed Brown   Vec            X0,Xdot;
9807445fe48SJed Brown   DM             dm,dmsave;
9813e05ceb1SHong Zhang   PetscReal      shift = th->shift;
982316643e7SJed Brown 
983316643e7SJed Brown   PetscFunctionBegin;
9847445fe48SJed Brown   ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr);
9855a3a76d0SJed Brown   /* When using the endpoint variant, this is actually 1/Theta * Xdot */
9867445fe48SJed Brown   ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
987494ce9fcSHong Zhang   if (x != X0) {
988b296d7d5SJed Brown     ierr = VecAXPBYPCZ(Xdot,-shift,shift,0,X0,x);CHKERRQ(ierr);
989494ce9fcSHong Zhang   } else {
990494ce9fcSHong Zhang     ierr = VecZeroEntries(Xdot);CHKERRQ(ierr);
991494ce9fcSHong Zhang   }
9927445fe48SJed Brown   /* DM monkey-business allows user code to call TSGetDM() inside of functions evaluated on levels of FAS */
9937445fe48SJed Brown   dmsave = ts->dm;
9947445fe48SJed Brown   ts->dm = dm;
9957445fe48SJed Brown   ierr   = TSComputeIFunction(ts,th->stage_time,x,Xdot,y,PETSC_FALSE);CHKERRQ(ierr);
9967445fe48SJed Brown   ts->dm = dmsave;
9970d0b770aSPeter Brune   ierr   = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr);
998316643e7SJed Brown   PetscFunctionReturn(0);
999316643e7SJed Brown }
1000316643e7SJed Brown 
1001d1e9a80fSBarry Smith static PetscErrorCode SNESTSFormJacobian_Theta(SNES snes,Vec x,Mat A,Mat B,TS ts)
1002316643e7SJed Brown {
1003316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1004316643e7SJed Brown   PetscErrorCode ierr;
10057445fe48SJed Brown   Vec            Xdot;
10067445fe48SJed Brown   DM             dm,dmsave;
10073e05ceb1SHong Zhang   PetscReal      shift = th->shift;
1008316643e7SJed Brown 
1009316643e7SJed Brown   PetscFunctionBegin;
10107445fe48SJed Brown   ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr);
1011be5899b3SLisandro Dalcin   /* Xdot has already been computed in SNESTSFormFunction_Theta (SNES guarantees this) */
10120298fd71SBarry Smith   ierr = TSThetaGetX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr);
10137445fe48SJed Brown 
10147445fe48SJed Brown   dmsave = ts->dm;
10157445fe48SJed Brown   ts->dm = dm;
1016d1e9a80fSBarry Smith   ierr   = TSComputeIJacobian(ts,th->stage_time,x,Xdot,shift,A,B,PETSC_FALSE);CHKERRQ(ierr);
10177445fe48SJed Brown   ts->dm = dmsave;
10180298fd71SBarry Smith   ierr   = TSThetaRestoreX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr);
1019316643e7SJed Brown   PetscFunctionReturn(0);
1020316643e7SJed Brown }
1021316643e7SJed Brown 
1022715f1b00SHong Zhang static PetscErrorCode TSForwardSetUp_Theta(TS ts)
1023715f1b00SHong Zhang {
1024715f1b00SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
10257207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
1026715f1b00SHong Zhang   PetscErrorCode ierr;
1027715f1b00SHong Zhang 
1028715f1b00SHong Zhang   PetscFunctionBegin;
1029022c081aSHong Zhang   /* combine sensitivities to parameters and sensitivities to initial values into one array */
103013b1b0ffSHong Zhang   th->num_tlm = ts->num_parameters;
103113b1b0ffSHong Zhang   ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatDeltaFwdSensip);CHKERRQ(ierr);
10327207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
10337207e0fdSHong Zhang     ierr = MatDuplicate(quadts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatIntegralSensipTemp);CHKERRQ(ierr);
10347207e0fdSHong Zhang     ierr = MatDuplicate(quadts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatIntegralSensip0);CHKERRQ(ierr);
1035715f1b00SHong Zhang   }
10366f92202bSHong Zhang   /* backup sensitivity results for roll-backs */
103713b1b0ffSHong Zhang   ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatFwdSensip0);CHKERRQ(ierr);
103813b1b0ffSHong Zhang 
1039b5b4017aSHong Zhang   ierr = VecDuplicate(ts->vec_sol,&th->VecDeltaFwdSensipCol);CHKERRQ(ierr);
1040715f1b00SHong Zhang   PetscFunctionReturn(0);
1041715f1b00SHong Zhang }
1042715f1b00SHong Zhang 
10437adebddeSHong Zhang static PetscErrorCode TSForwardReset_Theta(TS ts)
10447adebddeSHong Zhang {
10457adebddeSHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
10467207e0fdSHong Zhang   TS             quadts = ts->quadraturets;
10477adebddeSHong Zhang   PetscErrorCode ierr;
10487adebddeSHong Zhang 
10497adebddeSHong Zhang   PetscFunctionBegin;
10507207e0fdSHong Zhang   if (quadts && quadts->mat_sensip) {
10517207e0fdSHong Zhang     ierr = MatDestroy(&th->MatIntegralSensipTemp);CHKERRQ(ierr);
10527207e0fdSHong Zhang     ierr = MatDestroy(&th->MatIntegralSensip0);CHKERRQ(ierr);
10537adebddeSHong Zhang   }
10547adebddeSHong Zhang   ierr = VecDestroy(&th->VecDeltaFwdSensipCol);CHKERRQ(ierr);
10557adebddeSHong Zhang   ierr = MatDestroy(&th->MatDeltaFwdSensip);CHKERRQ(ierr);
10567adebddeSHong Zhang   ierr = MatDestroy(&th->MatFwdSensip0);CHKERRQ(ierr);
10577adebddeSHong Zhang   PetscFunctionReturn(0);
10587adebddeSHong Zhang }
10597adebddeSHong Zhang 
1060316643e7SJed Brown static PetscErrorCode TSSetUp_Theta(TS ts)
1061316643e7SJed Brown {
1062316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1063cd4cee2dSHong Zhang   TS             quadts = ts->quadraturets;
10642ffb9264SLisandro Dalcin   PetscBool      match;
1065316643e7SJed Brown   PetscErrorCode ierr;
1066316643e7SJed Brown 
1067316643e7SJed Brown   PetscFunctionBegin;
1068cd4cee2dSHong Zhang   if (!th->VecCostIntegral0 && quadts && ts->costintegralfwd) { /* back up cost integral */
1069cd4cee2dSHong Zhang     ierr = VecDuplicate(quadts->vec_sol,&th->VecCostIntegral0);CHKERRQ(ierr);
1070b1cb36f3SHong Zhang   }
107139d13666SHong Zhang   if (!th->X) {
1072316643e7SJed Brown     ierr = VecDuplicate(ts->vec_sol,&th->X);CHKERRQ(ierr);
107339d13666SHong Zhang   }
107439d13666SHong Zhang   if (!th->Xdot) {
1075316643e7SJed Brown     ierr = VecDuplicate(ts->vec_sol,&th->Xdot);CHKERRQ(ierr);
107639d13666SHong Zhang   }
107739d13666SHong Zhang   if (!th->X0) {
10783b1890cdSShri Abhyankar     ierr = VecDuplicate(ts->vec_sol,&th->X0);CHKERRQ(ierr);
107939d13666SHong Zhang   }
10801566a47fSLisandro Dalcin   if (th->endpoint) {
10811566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr);
10827445fe48SJed Brown   }
10833b1890cdSShri Abhyankar 
10841566a47fSLisandro Dalcin   th->order = (th->Theta == 0.5) ? 2 : 1;
108520d49056SMatthew G. Knepley   th->shift = 1/(th->Theta*ts->time_step);
10861566a47fSLisandro Dalcin 
10871566a47fSLisandro Dalcin   ierr = TSGetDM(ts,&ts->dm);CHKERRQ(ierr);
10881566a47fSLisandro Dalcin   ierr = DMCoarsenHookAdd(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr);
10891566a47fSLisandro Dalcin   ierr = DMSubDomainHookAdd(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr);
10901566a47fSLisandro Dalcin 
10911566a47fSLisandro Dalcin   ierr = TSGetAdapt(ts,&ts->adapt);CHKERRQ(ierr);
10921566a47fSLisandro Dalcin   ierr = TSAdaptCandidatesClear(ts->adapt);CHKERRQ(ierr);
10932ffb9264SLisandro Dalcin   ierr = PetscObjectTypeCompare((PetscObject)ts->adapt,TSADAPTNONE,&match);CHKERRQ(ierr);
10942ffb9264SLisandro Dalcin   if (!match) {
10951566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->vec_sol_prev);CHKERRQ(ierr);
10961566a47fSLisandro Dalcin     ierr = VecDuplicate(ts->vec_sol,&th->vec_lte_work);CHKERRQ(ierr);
10973b1890cdSShri Abhyankar   }
10981566a47fSLisandro Dalcin   ierr = TSGetSNES(ts,&ts->snes);CHKERRQ(ierr);
1099*cc4f23bcSHong Zhang 
1100*cc4f23bcSHong Zhang   ts->stifflyaccurate = (!th->endpoint && th->Theta != 1.0) ? PETSC_FALSE : PETSC_TRUE;
1101b4dd3bf9SBarry Smith   PetscFunctionReturn(0);
1102b4dd3bf9SBarry Smith }
11030c7376e5SHong Zhang 
1104b4dd3bf9SBarry Smith /*------------------------------------------------------------*/
1105b4dd3bf9SBarry Smith 
1106b4dd3bf9SBarry Smith static PetscErrorCode TSAdjointSetUp_Theta(TS ts)
1107b4dd3bf9SBarry Smith {
1108b4dd3bf9SBarry Smith   TS_Theta       *th = (TS_Theta*)ts->data;
1109b4dd3bf9SBarry Smith   PetscErrorCode ierr;
1110b4dd3bf9SBarry Smith 
1111b4dd3bf9SBarry Smith   PetscFunctionBegin;
1112b5e0532dSHong Zhang   ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr);
1113b5b4017aSHong Zhang   ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr);
11142ca6e920SHong Zhang   if (ts->vecs_sensip) {
1115b5e0532dSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensip[0],ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr);
11162ca6e920SHong Zhang   }
1117b5b4017aSHong Zhang   if (ts->vecs_sensi2) {
1118b5b4017aSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr);
1119b5b4017aSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi2[0],ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr);
112067633408SHong Zhang     /* hack ts to make implicit TS solver work when users provide only explicit versions of callbacks (RHSFunction,RHSJacobian,RHSHessian etc.) */
112167633408SHong Zhang     if (!ts->ihessianproduct_fuu) ts->vecs_fuu = ts->vecs_guu;
112267633408SHong Zhang     if (!ts->ihessianproduct_fup) ts->vecs_fup = ts->vecs_gup;
1123b5b4017aSHong Zhang   }
1124c9681e5dSHong Zhang   if (ts->vecs_sensi2p) {
1125c9681e5dSHong Zhang     ierr = VecDuplicateVecs(ts->vecs_sensi2p[0],ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr);
112667633408SHong Zhang     /* hack ts to make implicit TS solver work when users provide only explicit versions of callbacks (RHSFunction,RHSJacobian,RHSHessian etc.) */
112767633408SHong Zhang     if (!ts->ihessianproduct_fpu) ts->vecs_fpu = ts->vecs_gpu;
112867633408SHong Zhang     if (!ts->ihessianproduct_fpp) ts->vecs_fpp = ts->vecs_gpp;
1129b5b4017aSHong Zhang   }
1130316643e7SJed Brown   PetscFunctionReturn(0);
1131316643e7SJed Brown }
1132316643e7SJed Brown 
11334416b707SBarry Smith static PetscErrorCode TSSetFromOptions_Theta(PetscOptionItems *PetscOptionsObject,TS ts)
1134316643e7SJed Brown {
1135316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1136316643e7SJed Brown   PetscErrorCode ierr;
1137316643e7SJed Brown 
1138316643e7SJed Brown   PetscFunctionBegin;
1139e55864a3SBarry Smith   ierr = PetscOptionsHead(PetscOptionsObject,"Theta ODE solver options");CHKERRQ(ierr);
1140316643e7SJed Brown   {
11410298fd71SBarry Smith     ierr = PetscOptionsReal("-ts_theta_theta","Location of stage (0<Theta<=1)","TSThetaSetTheta",th->Theta,&th->Theta,NULL);CHKERRQ(ierr);
11420298fd71SBarry 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);
114303842d09SLisandro 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);
1144316643e7SJed Brown   }
1145316643e7SJed Brown   ierr = PetscOptionsTail();CHKERRQ(ierr);
1146316643e7SJed Brown   PetscFunctionReturn(0);
1147316643e7SJed Brown }
1148316643e7SJed Brown 
1149316643e7SJed Brown static PetscErrorCode TSView_Theta(TS ts,PetscViewer viewer)
1150316643e7SJed Brown {
1151316643e7SJed Brown   TS_Theta       *th = (TS_Theta*)ts->data;
1152ace3abfcSBarry Smith   PetscBool      iascii;
1153316643e7SJed Brown   PetscErrorCode ierr;
1154316643e7SJed Brown 
1155316643e7SJed Brown   PetscFunctionBegin;
1156251f4c67SDmitry Karpeev   ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&iascii);CHKERRQ(ierr);
1157316643e7SJed Brown   if (iascii) {
11587c8652ddSBarry Smith     ierr = PetscViewerASCIIPrintf(viewer,"  Theta=%g\n",(double)th->Theta);CHKERRQ(ierr);
1159ace68cafSJed Brown     ierr = PetscViewerASCIIPrintf(viewer,"  Extrapolation=%s\n",th->extrapolate ? "yes" : "no");CHKERRQ(ierr);
1160316643e7SJed Brown   }
1161316643e7SJed Brown   PetscFunctionReturn(0);
1162316643e7SJed Brown }
1163316643e7SJed Brown 
1164560360afSLisandro Dalcin static PetscErrorCode TSThetaGetTheta_Theta(TS ts,PetscReal *theta)
11650de4c49aSJed Brown {
11660de4c49aSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
11670de4c49aSJed Brown 
11680de4c49aSJed Brown   PetscFunctionBegin;
11690de4c49aSJed Brown   *theta = th->Theta;
11700de4c49aSJed Brown   PetscFunctionReturn(0);
11710de4c49aSJed Brown }
11720de4c49aSJed Brown 
1173560360afSLisandro Dalcin static PetscErrorCode TSThetaSetTheta_Theta(TS ts,PetscReal theta)
11740de4c49aSJed Brown {
11750de4c49aSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
11760de4c49aSJed Brown 
11770de4c49aSJed Brown   PetscFunctionBegin;
11787c8652ddSBarry Smith   if (theta <= 0 || 1 < theta) SETERRQ1(PetscObjectComm((PetscObject)ts),PETSC_ERR_ARG_OUTOFRANGE,"Theta %g not in range (0,1]",(double)theta);
11790de4c49aSJed Brown   th->Theta = theta;
11801566a47fSLisandro Dalcin   th->order = (th->Theta == 0.5) ? 2 : 1;
11810de4c49aSJed Brown   PetscFunctionReturn(0);
11820de4c49aSJed Brown }
1183eb284becSJed Brown 
1184560360afSLisandro Dalcin static PetscErrorCode TSThetaGetEndpoint_Theta(TS ts,PetscBool *endpoint)
118526f2ff8fSLisandro Dalcin {
118626f2ff8fSLisandro Dalcin   TS_Theta *th = (TS_Theta*)ts->data;
118726f2ff8fSLisandro Dalcin 
118826f2ff8fSLisandro Dalcin   PetscFunctionBegin;
118926f2ff8fSLisandro Dalcin   *endpoint = th->endpoint;
119026f2ff8fSLisandro Dalcin   PetscFunctionReturn(0);
119126f2ff8fSLisandro Dalcin }
119226f2ff8fSLisandro Dalcin 
1193560360afSLisandro Dalcin static PetscErrorCode TSThetaSetEndpoint_Theta(TS ts,PetscBool flg)
1194eb284becSJed Brown {
1195eb284becSJed Brown   TS_Theta *th = (TS_Theta*)ts->data;
1196eb284becSJed Brown 
1197eb284becSJed Brown   PetscFunctionBegin;
1198eb284becSJed Brown   th->endpoint = flg;
1199eb284becSJed Brown   PetscFunctionReturn(0);
1200eb284becSJed Brown }
12010de4c49aSJed Brown 
1202f9c1d6abSBarry Smith #if defined(PETSC_HAVE_COMPLEX)
1203f9c1d6abSBarry Smith static PetscErrorCode TSComputeLinearStability_Theta(TS ts,PetscReal xr,PetscReal xi,PetscReal *yr,PetscReal *yi)
1204f9c1d6abSBarry Smith {
1205f9c1d6abSBarry Smith   PetscComplex   z   = xr + xi*PETSC_i,f;
1206f9c1d6abSBarry Smith   TS_Theta       *th = (TS_Theta*)ts->data;
12073fd8ae06SJed Brown   const PetscReal one = 1.0;
1208f9c1d6abSBarry Smith 
1209f9c1d6abSBarry Smith   PetscFunctionBegin;
12103fd8ae06SJed Brown   f   = (one + (one - th->Theta)*z)/(one - th->Theta*z);
1211f9c1d6abSBarry Smith   *yr = PetscRealPartComplex(f);
1212f9c1d6abSBarry Smith   *yi = PetscImaginaryPartComplex(f);
1213f9c1d6abSBarry Smith   PetscFunctionReturn(0);
1214f9c1d6abSBarry Smith }
1215f9c1d6abSBarry Smith #endif
1216f9c1d6abSBarry Smith 
1217*cc4f23bcSHong Zhang static PetscErrorCode TSGetStages_Theta(TS ts,PetscInt *ns,Vec *Y[])
121842682096SHong Zhang {
121942682096SHong Zhang   TS_Theta       *th = (TS_Theta*)ts->data;
122042682096SHong Zhang 
122142682096SHong Zhang   PetscFunctionBegin;
1222*cc4f23bcSHong Zhang   if (ns) *ns = 2;
12235072d23cSHong Zhang   if (Y) {
1224*cc4f23bcSHong Zhang     if (!th->endpoint && th->Theta != 1.0) {
1225*cc4f23bcSHong Zhang       th->Stages[0] = th->X0; /* useful for recovering Xdot, which is needed for sensitivity analysis of systems involving a parameterized mass matrix. */
1226*cc4f23bcSHong Zhang       th->Stages[1] = th->X;
1227*cc4f23bcSHong Zhang     } else {
1228*cc4f23bcSHong Zhang       th->Stages[0] = th->X0;
1229*cc4f23bcSHong Zhang       th->Stages[1] = ts->vec_sol; /* stiffly accurate */
1230*cc4f23bcSHong Zhang     }
1231*cc4f23bcSHong Zhang     *Y = th->Stages;
12325072d23cSHong Zhang   }
123342682096SHong Zhang   PetscFunctionReturn(0);
123442682096SHong Zhang }
1235f9c1d6abSBarry Smith 
1236316643e7SJed Brown /* ------------------------------------------------------------ */
1237316643e7SJed Brown /*MC
123896f5712cSJed Brown       TSTHETA - DAE solver using the implicit Theta method
1239316643e7SJed Brown 
1240316643e7SJed Brown    Level: beginner
1241316643e7SJed Brown 
12424eb428fdSBarry Smith    Options Database:
1243c82ed962SBarry Smith +  -ts_theta_theta <Theta> - Location of stage (0<Theta<=1)
1244c82ed962SBarry Smith .  -ts_theta_endpoint <flag> - Use the endpoint (like Crank-Nicholson) instead of midpoint form of the Theta method
124503842d09SLisandro Dalcin -  -ts_theta_initial_guess_extrapolate <flg> - Extrapolate stage initial guess from previous solution (sometimes unstable)
12464eb428fdSBarry Smith 
1247eb284becSJed Brown    Notes:
12480c3ba866SJed Brown $  -ts_type theta -ts_theta_theta 1.0 corresponds to backward Euler (TSBEULER)
12490c3ba866SJed Brown $  -ts_type theta -ts_theta_theta 0.5 corresponds to the implicit midpoint rule
12504eb428fdSBarry Smith $  -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint corresponds to Crank-Nicholson (TSCN)
12514eb428fdSBarry Smith 
1252eb284becSJed Brown    This method can be applied to DAE.
1253eb284becSJed Brown 
1254eb284becSJed Brown    This method is cast as a 1-stage implicit Runge-Kutta method.
1255eb284becSJed Brown 
1256eb284becSJed Brown .vb
1257eb284becSJed Brown   Theta | Theta
1258eb284becSJed Brown   -------------
1259eb284becSJed Brown         |  1
1260eb284becSJed Brown .ve
1261eb284becSJed Brown 
1262eb284becSJed Brown    For the default Theta=0.5, this is also known as the implicit midpoint rule.
1263eb284becSJed Brown 
1264eb284becSJed Brown    When the endpoint variant is chosen, the method becomes a 2-stage method with first stage explicit:
1265eb284becSJed Brown 
1266eb284becSJed Brown .vb
1267eb284becSJed Brown   0 | 0         0
1268eb284becSJed Brown   1 | 1-Theta   Theta
1269eb284becSJed Brown   -------------------
1270eb284becSJed Brown     | 1-Theta   Theta
1271eb284becSJed Brown .ve
1272eb284becSJed Brown 
1273eb284becSJed Brown    For the default Theta=0.5, this is the trapezoid rule (also known as Crank-Nicolson, see TSCN).
1274eb284becSJed Brown 
1275eb284becSJed Brown    To apply a diagonally implicit RK method to DAE, the stage formula
1276eb284becSJed Brown 
1277eb284becSJed Brown $  Y_i = X + h sum_j a_ij Y'_j
1278eb284becSJed Brown 
12794eb428fdSBarry Smith    is interpreted as a formula for Y'_i in terms of Y_i and known values (Y'_j, j<i)
1280eb284becSJed Brown 
1281eb284becSJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSCN, TSBEULER, TSThetaSetTheta(), TSThetaSetEndpoint()
1282316643e7SJed Brown 
1283316643e7SJed Brown M*/
12848cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_Theta(TS ts)
1285316643e7SJed Brown {
1286316643e7SJed Brown   TS_Theta       *th;
1287316643e7SJed Brown   PetscErrorCode ierr;
1288316643e7SJed Brown 
1289316643e7SJed Brown   PetscFunctionBegin;
1290277b19d0SLisandro Dalcin   ts->ops->reset           = TSReset_Theta;
1291ece46509SHong Zhang   ts->ops->adjointreset    = TSAdjointReset_Theta;
1292316643e7SJed Brown   ts->ops->destroy         = TSDestroy_Theta;
1293316643e7SJed Brown   ts->ops->view            = TSView_Theta;
1294316643e7SJed Brown   ts->ops->setup           = TSSetUp_Theta;
129542f2b339SBarry Smith   ts->ops->adjointsetup    = TSAdjointSetUp_Theta;
1296ece46509SHong Zhang   ts->ops->adjointreset    = TSAdjointReset_Theta;
1297316643e7SJed Brown   ts->ops->step            = TSStep_Theta;
1298cd652676SJed Brown   ts->ops->interpolate     = TSInterpolate_Theta;
12991566a47fSLisandro Dalcin   ts->ops->evaluatewlte    = TSEvaluateWLTE_Theta;
130024655328SShri   ts->ops->rollback        = TSRollBack_Theta;
1301316643e7SJed Brown   ts->ops->setfromoptions  = TSSetFromOptions_Theta;
13020f5c6efeSJed Brown   ts->ops->snesfunction    = SNESTSFormFunction_Theta;
13030f5c6efeSJed Brown   ts->ops->snesjacobian    = SNESTSFormJacobian_Theta;
1304f9c1d6abSBarry Smith #if defined(PETSC_HAVE_COMPLEX)
1305f9c1d6abSBarry Smith   ts->ops->linearstability = TSComputeLinearStability_Theta;
1306f9c1d6abSBarry Smith #endif
130742682096SHong Zhang   ts->ops->getstages       = TSGetStages_Theta;
130842f2b339SBarry Smith   ts->ops->adjointstep     = TSAdjointStep_Theta;
1309b1cb36f3SHong Zhang   ts->ops->adjointintegral = TSAdjointCostIntegral_Theta;
1310b1cb36f3SHong Zhang   ts->ops->forwardintegral = TSForwardCostIntegral_Theta;
13112ffb9264SLisandro Dalcin   ts->default_adapt_type   = TSADAPTNONE;
13126affb6f8SHong Zhang 
1313715f1b00SHong Zhang   ts->ops->forwardsetup     = TSForwardSetUp_Theta;
13147adebddeSHong Zhang   ts->ops->forwardreset     = TSForwardReset_Theta;
1315715f1b00SHong Zhang   ts->ops->forwardstep      = TSForwardStep_Theta;
13166affb6f8SHong Zhang   ts->ops->forwardgetstages = TSForwardGetStages_Theta;
1317316643e7SJed Brown 
1318efd4aadfSBarry Smith   ts->usessnes = PETSC_TRUE;
1319efd4aadfSBarry Smith 
1320b00a9115SJed Brown   ierr = PetscNewLog(ts,&th);CHKERRQ(ierr);
1321316643e7SJed Brown   ts->data = (void*)th;
1322316643e7SJed Brown 
1323715f1b00SHong Zhang   th->VecsDeltaLam    = NULL;
1324715f1b00SHong Zhang   th->VecsDeltaMu     = NULL;
1325715f1b00SHong Zhang   th->VecsSensiTemp   = NULL;
1326b5b4017aSHong Zhang   th->VecsSensi2Temp  = NULL;
1327715f1b00SHong Zhang 
13286f700aefSJed Brown   th->extrapolate = PETSC_FALSE;
1329316643e7SJed Brown   th->Theta       = 0.5;
13301566a47fSLisandro Dalcin   th->order       = 2;
1331bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",TSThetaGetTheta_Theta);CHKERRQ(ierr);
1332bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",TSThetaSetTheta_Theta);CHKERRQ(ierr);
1333bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",TSThetaGetEndpoint_Theta);CHKERRQ(ierr);
1334bdf89e91SBarry Smith   ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",TSThetaSetEndpoint_Theta);CHKERRQ(ierr);
1335316643e7SJed Brown   PetscFunctionReturn(0);
1336316643e7SJed Brown }
13370de4c49aSJed Brown 
13380de4c49aSJed Brown /*@
13390de4c49aSJed Brown   TSThetaGetTheta - Get the abscissa of the stage in (0,1].
13400de4c49aSJed Brown 
13410de4c49aSJed Brown   Not Collective
13420de4c49aSJed Brown 
13430de4c49aSJed Brown   Input Parameter:
13440de4c49aSJed Brown .  ts - timestepping context
13450de4c49aSJed Brown 
13460de4c49aSJed Brown   Output Parameter:
13470de4c49aSJed Brown .  theta - stage abscissa
13480de4c49aSJed Brown 
13490de4c49aSJed Brown   Note:
13500de4c49aSJed Brown   Use of this function is normally only required to hack TSTHETA to use a modified integration scheme.
13510de4c49aSJed Brown 
13520de4c49aSJed Brown   Level: Advanced
13530de4c49aSJed Brown 
13540de4c49aSJed Brown .seealso: TSThetaSetTheta()
13550de4c49aSJed Brown @*/
13567087cfbeSBarry Smith PetscErrorCode  TSThetaGetTheta(TS ts,PetscReal *theta)
13570de4c49aSJed Brown {
13584ac538c5SBarry Smith   PetscErrorCode ierr;
13590de4c49aSJed Brown 
13600de4c49aSJed Brown   PetscFunctionBegin;
1361afb20b64SJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
13620de4c49aSJed Brown   PetscValidPointer(theta,2);
13634ac538c5SBarry Smith   ierr = PetscUseMethod(ts,"TSThetaGetTheta_C",(TS,PetscReal*),(ts,theta));CHKERRQ(ierr);
13640de4c49aSJed Brown   PetscFunctionReturn(0);
13650de4c49aSJed Brown }
13660de4c49aSJed Brown 
13670de4c49aSJed Brown /*@
13680de4c49aSJed Brown   TSThetaSetTheta - Set the abscissa of the stage in (0,1].
13690de4c49aSJed Brown 
13700de4c49aSJed Brown   Not Collective
13710de4c49aSJed Brown 
13720de4c49aSJed Brown   Input Parameter:
13730de4c49aSJed Brown +  ts - timestepping context
13740de4c49aSJed Brown -  theta - stage abscissa
13750de4c49aSJed Brown 
13760de4c49aSJed Brown   Options Database:
13770de4c49aSJed Brown .  -ts_theta_theta <theta>
13780de4c49aSJed Brown 
13790de4c49aSJed Brown   Level: Intermediate
13800de4c49aSJed Brown 
13810de4c49aSJed Brown .seealso: TSThetaGetTheta()
13820de4c49aSJed Brown @*/
13837087cfbeSBarry Smith PetscErrorCode  TSThetaSetTheta(TS ts,PetscReal theta)
13840de4c49aSJed Brown {
13854ac538c5SBarry Smith   PetscErrorCode ierr;
13860de4c49aSJed Brown 
13870de4c49aSJed Brown   PetscFunctionBegin;
1388afb20b64SJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
13894ac538c5SBarry Smith   ierr = PetscTryMethod(ts,"TSThetaSetTheta_C",(TS,PetscReal),(ts,theta));CHKERRQ(ierr);
13900de4c49aSJed Brown   PetscFunctionReturn(0);
13910de4c49aSJed Brown }
1392f33bbcb6SJed Brown 
139326f2ff8fSLisandro Dalcin /*@
139426f2ff8fSLisandro Dalcin   TSThetaGetEndpoint - Gets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule).
139526f2ff8fSLisandro Dalcin 
139626f2ff8fSLisandro Dalcin   Not Collective
139726f2ff8fSLisandro Dalcin 
139826f2ff8fSLisandro Dalcin   Input Parameter:
139926f2ff8fSLisandro Dalcin .  ts - timestepping context
140026f2ff8fSLisandro Dalcin 
140126f2ff8fSLisandro Dalcin   Output Parameter:
140226f2ff8fSLisandro Dalcin .  endpoint - PETSC_TRUE when using the endpoint variant
140326f2ff8fSLisandro Dalcin 
140426f2ff8fSLisandro Dalcin   Level: Advanced
140526f2ff8fSLisandro Dalcin 
140626f2ff8fSLisandro Dalcin .seealso: TSThetaSetEndpoint(), TSTHETA, TSCN
140726f2ff8fSLisandro Dalcin @*/
140826f2ff8fSLisandro Dalcin PetscErrorCode TSThetaGetEndpoint(TS ts,PetscBool *endpoint)
140926f2ff8fSLisandro Dalcin {
141026f2ff8fSLisandro Dalcin   PetscErrorCode ierr;
141126f2ff8fSLisandro Dalcin 
141226f2ff8fSLisandro Dalcin   PetscFunctionBegin;
141326f2ff8fSLisandro Dalcin   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
141426f2ff8fSLisandro Dalcin   PetscValidPointer(endpoint,2);
1415163d334eSBarry Smith   ierr = PetscUseMethod(ts,"TSThetaGetEndpoint_C",(TS,PetscBool*),(ts,endpoint));CHKERRQ(ierr);
141626f2ff8fSLisandro Dalcin   PetscFunctionReturn(0);
141726f2ff8fSLisandro Dalcin }
141826f2ff8fSLisandro Dalcin 
1419eb284becSJed Brown /*@
1420eb284becSJed Brown   TSThetaSetEndpoint - Sets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule).
1421eb284becSJed Brown 
1422eb284becSJed Brown   Not Collective
1423eb284becSJed Brown 
1424eb284becSJed Brown   Input Parameter:
1425eb284becSJed Brown +  ts - timestepping context
1426eb284becSJed Brown -  flg - PETSC_TRUE to use the endpoint variant
1427eb284becSJed Brown 
1428eb284becSJed Brown   Options Database:
1429eb284becSJed Brown .  -ts_theta_endpoint <flg>
1430eb284becSJed Brown 
1431eb284becSJed Brown   Level: Intermediate
1432eb284becSJed Brown 
1433eb284becSJed Brown .seealso: TSTHETA, TSCN
1434eb284becSJed Brown @*/
1435eb284becSJed Brown PetscErrorCode TSThetaSetEndpoint(TS ts,PetscBool flg)
1436eb284becSJed Brown {
1437eb284becSJed Brown   PetscErrorCode ierr;
1438eb284becSJed Brown 
1439eb284becSJed Brown   PetscFunctionBegin;
1440eb284becSJed Brown   PetscValidHeaderSpecific(ts,TS_CLASSID,1);
1441eb284becSJed Brown   ierr = PetscTryMethod(ts,"TSThetaSetEndpoint_C",(TS,PetscBool),(ts,flg));CHKERRQ(ierr);
1442eb284becSJed Brown   PetscFunctionReturn(0);
1443eb284becSJed Brown }
1444eb284becSJed Brown 
1445f33bbcb6SJed Brown /*
1446f33bbcb6SJed Brown  * TSBEULER and TSCN are straightforward specializations of TSTHETA.
1447f33bbcb6SJed Brown  * The creation functions for these specializations are below.
1448f33bbcb6SJed Brown  */
1449f33bbcb6SJed Brown 
14501566a47fSLisandro Dalcin static PetscErrorCode TSSetUp_BEuler(TS ts)
14511566a47fSLisandro Dalcin {
14521566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
14531566a47fSLisandro Dalcin   PetscErrorCode ierr;
14541566a47fSLisandro Dalcin 
14551566a47fSLisandro Dalcin   PetscFunctionBegin;
14561566a47fSLisandro 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");
14571566a47fSLisandro 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");
14581566a47fSLisandro Dalcin   ierr = TSSetUp_Theta(ts);CHKERRQ(ierr);
14591566a47fSLisandro Dalcin   PetscFunctionReturn(0);
14601566a47fSLisandro Dalcin }
14611566a47fSLisandro Dalcin 
1462f33bbcb6SJed Brown static PetscErrorCode TSView_BEuler(TS ts,PetscViewer viewer)
1463f33bbcb6SJed Brown {
1464f33bbcb6SJed Brown   PetscFunctionBegin;
1465f33bbcb6SJed Brown   PetscFunctionReturn(0);
1466f33bbcb6SJed Brown }
1467f33bbcb6SJed Brown 
1468f33bbcb6SJed Brown /*MC
1469f33bbcb6SJed Brown       TSBEULER - ODE solver using the implicit backward Euler method
1470f33bbcb6SJed Brown 
1471f33bbcb6SJed Brown   Level: beginner
1472f33bbcb6SJed Brown 
14734eb428fdSBarry Smith   Notes:
1474c7eb6c99SShri Abhyankar   TSBEULER is equivalent to TSTHETA with Theta=1.0
14754eb428fdSBarry Smith 
14761566a47fSLisandro Dalcin $  -ts_type theta -ts_theta_theta 1.0
14774eb428fdSBarry Smith 
1478f33bbcb6SJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSEULER, TSCN, TSTHETA
1479f33bbcb6SJed Brown 
1480f33bbcb6SJed Brown M*/
14818cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_BEuler(TS ts)
1482f33bbcb6SJed Brown {
1483f33bbcb6SJed Brown   PetscErrorCode ierr;
1484f33bbcb6SJed Brown 
1485f33bbcb6SJed Brown   PetscFunctionBegin;
1486f33bbcb6SJed Brown   ierr = TSCreate_Theta(ts);CHKERRQ(ierr);
1487f33bbcb6SJed Brown   ierr = TSThetaSetTheta(ts,1.0);CHKERRQ(ierr);
14881566a47fSLisandro Dalcin   ierr = TSThetaSetEndpoint(ts,PETSC_FALSE);CHKERRQ(ierr);
14890c7376e5SHong Zhang   ts->ops->setup = TSSetUp_BEuler;
1490f33bbcb6SJed Brown   ts->ops->view  = TSView_BEuler;
1491f33bbcb6SJed Brown   PetscFunctionReturn(0);
1492f33bbcb6SJed Brown }
1493f33bbcb6SJed Brown 
14941566a47fSLisandro Dalcin static PetscErrorCode TSSetUp_CN(TS ts)
14951566a47fSLisandro Dalcin {
14961566a47fSLisandro Dalcin   TS_Theta       *th = (TS_Theta*)ts->data;
14971566a47fSLisandro Dalcin   PetscErrorCode ierr;
14981566a47fSLisandro Dalcin 
14991566a47fSLisandro Dalcin   PetscFunctionBegin;
15001566a47fSLisandro 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");
15011566a47fSLisandro 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");
15021566a47fSLisandro Dalcin   ierr = TSSetUp_Theta(ts);CHKERRQ(ierr);
15031566a47fSLisandro Dalcin   PetscFunctionReturn(0);
15041566a47fSLisandro Dalcin }
15051566a47fSLisandro Dalcin 
1506f33bbcb6SJed Brown static PetscErrorCode TSView_CN(TS ts,PetscViewer viewer)
1507f33bbcb6SJed Brown {
1508f33bbcb6SJed Brown   PetscFunctionBegin;
1509f33bbcb6SJed Brown   PetscFunctionReturn(0);
1510f33bbcb6SJed Brown }
1511f33bbcb6SJed Brown 
1512f33bbcb6SJed Brown /*MC
1513f33bbcb6SJed Brown       TSCN - ODE solver using the implicit Crank-Nicolson method.
1514f33bbcb6SJed Brown 
1515f33bbcb6SJed Brown   Level: beginner
1516f33bbcb6SJed Brown 
1517f33bbcb6SJed Brown   Notes:
15187cf5af47SJed Brown   TSCN is equivalent to TSTHETA with Theta=0.5 and the "endpoint" option set. I.e.
15197cf5af47SJed Brown 
15207cf5af47SJed Brown $  -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint
1521f33bbcb6SJed Brown 
1522f33bbcb6SJed Brown .seealso:  TSCreate(), TS, TSSetType(), TSBEULER, TSTHETA
1523f33bbcb6SJed Brown 
1524f33bbcb6SJed Brown M*/
15258cc058d9SJed Brown PETSC_EXTERN PetscErrorCode TSCreate_CN(TS ts)
1526f33bbcb6SJed Brown {
1527f33bbcb6SJed Brown   PetscErrorCode ierr;
1528f33bbcb6SJed Brown 
1529f33bbcb6SJed Brown   PetscFunctionBegin;
1530f33bbcb6SJed Brown   ierr = TSCreate_Theta(ts);CHKERRQ(ierr);
1531f33bbcb6SJed Brown   ierr = TSThetaSetTheta(ts,0.5);CHKERRQ(ierr);
1532eb284becSJed Brown   ierr = TSThetaSetEndpoint(ts,PETSC_TRUE);CHKERRQ(ierr);
15330c7376e5SHong Zhang   ts->ops->setup = TSSetUp_CN;
1534f33bbcb6SJed Brown   ts->ops->view  = TSView_CN;
1535f33bbcb6SJed Brown   PetscFunctionReturn(0);
1536f33bbcb6SJed Brown }
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