1 /* 2 Code for timestepping with implicit Theta method 3 */ 4 #include <petsc/private/tsimpl.h> /*I "petscts.h" I*/ 5 #include <petscsnes.h> 6 #include <petscdm.h> 7 #include <petscmat.h> 8 9 typedef struct { 10 /* context for time stepping */ 11 PetscReal stage_time; 12 Vec X0,X,Xdot; /* Storage for stages and time derivative */ 13 Vec affine; /* Affine vector needed for residual at beginning of step in endpoint formulation */ 14 PetscReal Theta; 15 PetscReal ptime; 16 PetscReal time_step; 17 PetscInt order; 18 PetscBool endpoint; 19 PetscBool extrapolate; 20 TSStepStatus status; 21 Vec VecCostIntegral0; /* Backup for roll-backs due to events */ 22 23 /* context for sensitivity analysis */ 24 PetscInt num_tlm; /* Total number of tangent linear equations */ 25 Vec *VecsDeltaLam; /* Increment of the adjoint sensitivity w.r.t IC at stage */ 26 Vec *VecsDeltaMu; /* Increment of the adjoint sensitivity w.r.t P at stage */ 27 Vec *VecsSensiTemp; /* Vector to be multiplied with Jacobian transpose */ 28 Mat MatDeltaFwdSensip; /* Increment of the forward sensitivity at stage */ 29 Vec VecDeltaFwdSensipCol; /* Working vector for holding one column of the sensitivity matrix */ 30 Mat MatFwdSensip0; /* backup for roll-backs due to events */ 31 Vec VecIntegralSensipTemp; /* Working vector for forward integral sensitivity */ 32 Vec *VecsIntegralSensip0; /* backup for roll-backs due to events */ 33 Vec *VecsDeltaLam2; /* Increment of the 2nd-order adjoint sensitivity w.r.t IC at stage */ 34 Vec *VecsDeltaMu2; /* Increment of the 2nd-order adjoint sensitivity w.r.t P at stage */ 35 Vec *VecsSensi2Temp; /* Working vectors that holds the residual for the second-order adjoint */ 36 Vec *VecsAffine; /* Working vectors to store residuals */ 37 /* context for error estimation */ 38 Vec vec_sol_prev; 39 Vec vec_lte_work; 40 } TS_Theta; 41 42 static PetscErrorCode TSThetaGetX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot) 43 { 44 TS_Theta *th = (TS_Theta*)ts->data; 45 PetscErrorCode ierr; 46 47 PetscFunctionBegin; 48 if (X0) { 49 if (dm && dm != ts->dm) { 50 ierr = DMGetNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr); 51 } else *X0 = ts->vec_sol; 52 } 53 if (Xdot) { 54 if (dm && dm != ts->dm) { 55 ierr = DMGetNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr); 56 } else *Xdot = th->Xdot; 57 } 58 PetscFunctionReturn(0); 59 } 60 61 static PetscErrorCode TSThetaRestoreX0AndXdot(TS ts,DM dm,Vec *X0,Vec *Xdot) 62 { 63 PetscErrorCode ierr; 64 65 PetscFunctionBegin; 66 if (X0) { 67 if (dm && dm != ts->dm) { 68 ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_X0",X0);CHKERRQ(ierr); 69 } 70 } 71 if (Xdot) { 72 if (dm && dm != ts->dm) { 73 ierr = DMRestoreNamedGlobalVector(dm,"TSTheta_Xdot",Xdot);CHKERRQ(ierr); 74 } 75 } 76 PetscFunctionReturn(0); 77 } 78 79 static PetscErrorCode DMCoarsenHook_TSTheta(DM fine,DM coarse,void *ctx) 80 { 81 PetscFunctionBegin; 82 PetscFunctionReturn(0); 83 } 84 85 static PetscErrorCode DMRestrictHook_TSTheta(DM fine,Mat restrct,Vec rscale,Mat inject,DM coarse,void *ctx) 86 { 87 TS ts = (TS)ctx; 88 PetscErrorCode ierr; 89 Vec X0,Xdot,X0_c,Xdot_c; 90 91 PetscFunctionBegin; 92 ierr = TSThetaGetX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr); 93 ierr = TSThetaGetX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr); 94 ierr = MatRestrict(restrct,X0,X0_c);CHKERRQ(ierr); 95 ierr = MatRestrict(restrct,Xdot,Xdot_c);CHKERRQ(ierr); 96 ierr = VecPointwiseMult(X0_c,rscale,X0_c);CHKERRQ(ierr); 97 ierr = VecPointwiseMult(Xdot_c,rscale,Xdot_c);CHKERRQ(ierr); 98 ierr = TSThetaRestoreX0AndXdot(ts,fine,&X0,&Xdot);CHKERRQ(ierr); 99 ierr = TSThetaRestoreX0AndXdot(ts,coarse,&X0_c,&Xdot_c);CHKERRQ(ierr); 100 PetscFunctionReturn(0); 101 } 102 103 static PetscErrorCode DMSubDomainHook_TSTheta(DM dm,DM subdm,void *ctx) 104 { 105 PetscFunctionBegin; 106 PetscFunctionReturn(0); 107 } 108 109 static PetscErrorCode DMSubDomainRestrictHook_TSTheta(DM dm,VecScatter gscat,VecScatter lscat,DM subdm,void *ctx) 110 { 111 TS ts = (TS)ctx; 112 PetscErrorCode ierr; 113 Vec X0,Xdot,X0_sub,Xdot_sub; 114 115 PetscFunctionBegin; 116 ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr); 117 ierr = TSThetaGetX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr); 118 119 ierr = VecScatterBegin(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr); 120 ierr = VecScatterEnd(gscat,X0,X0_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr); 121 122 ierr = VecScatterBegin(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr); 123 ierr = VecScatterEnd(gscat,Xdot,Xdot_sub,INSERT_VALUES,SCATTER_FORWARD);CHKERRQ(ierr); 124 125 ierr = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr); 126 ierr = TSThetaRestoreX0AndXdot(ts,subdm,&X0_sub,&Xdot_sub);CHKERRQ(ierr); 127 PetscFunctionReturn(0); 128 } 129 130 static PetscErrorCode TSThetaEvaluateCostIntegral(TS ts) 131 { 132 TS_Theta *th = (TS_Theta*)ts->data; 133 PetscErrorCode ierr; 134 135 PetscFunctionBegin; 136 if (th->endpoint) { 137 /* Evolve ts->vec_costintegral to compute integrals */ 138 if (th->Theta!=1.0) { 139 ierr = TSComputeCostIntegrand(ts,th->ptime,th->X0,ts->vec_costintegrand);CHKERRQ(ierr); 140 ierr = VecAXPY(ts->vec_costintegral,th->time_step*(1.0-th->Theta),ts->vec_costintegrand);CHKERRQ(ierr); 141 } 142 ierr = TSComputeCostIntegrand(ts,ts->ptime,ts->vec_sol,ts->vec_costintegrand);CHKERRQ(ierr); 143 ierr = VecAXPY(ts->vec_costintegral,th->time_step*th->Theta,ts->vec_costintegrand);CHKERRQ(ierr); 144 } else { 145 ierr = TSComputeCostIntegrand(ts,th->stage_time,th->X,ts->vec_costintegrand);CHKERRQ(ierr); 146 ierr = VecAXPY(ts->vec_costintegral,th->time_step,ts->vec_costintegrand);CHKERRQ(ierr); 147 } 148 PetscFunctionReturn(0); 149 } 150 151 static PetscErrorCode TSForwardCostIntegral_Theta(TS ts) 152 { 153 TS_Theta *th = (TS_Theta*)ts->data; 154 PetscErrorCode ierr; 155 156 PetscFunctionBegin; 157 /* backup cost integral */ 158 ierr = VecCopy(ts->vec_costintegral,th->VecCostIntegral0);CHKERRQ(ierr); 159 ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr); 160 PetscFunctionReturn(0); 161 } 162 163 static PetscErrorCode TSAdjointCostIntegral_Theta(TS ts) 164 { 165 PetscErrorCode ierr; 166 167 PetscFunctionBegin; 168 ierr = TSThetaEvaluateCostIntegral(ts);CHKERRQ(ierr); 169 PetscFunctionReturn(0); 170 } 171 172 static PetscErrorCode TSTheta_SNESSolve(TS ts,Vec b,Vec x) 173 { 174 PetscInt nits,lits; 175 PetscErrorCode ierr; 176 177 PetscFunctionBegin; 178 ierr = SNESSolve(ts->snes,b,x);CHKERRQ(ierr); 179 ierr = SNESGetIterationNumber(ts->snes,&nits);CHKERRQ(ierr); 180 ierr = SNESGetLinearSolveIterations(ts->snes,&lits);CHKERRQ(ierr); 181 ts->snes_its += nits; ts->ksp_its += lits; 182 PetscFunctionReturn(0); 183 } 184 185 static PetscErrorCode TSStep_Theta(TS ts) 186 { 187 TS_Theta *th = (TS_Theta*)ts->data; 188 PetscInt rejections = 0; 189 PetscBool stageok,accept = PETSC_TRUE; 190 PetscReal next_time_step = ts->time_step; 191 PetscErrorCode ierr; 192 193 PetscFunctionBegin; 194 if (!ts->steprollback) { 195 if (th->vec_sol_prev) { ierr = VecCopy(th->X0,th->vec_sol_prev);CHKERRQ(ierr); } 196 ierr = VecCopy(ts->vec_sol,th->X0);CHKERRQ(ierr); 197 } 198 199 th->status = TS_STEP_INCOMPLETE; 200 while (!ts->reason && th->status != TS_STEP_COMPLETE) { 201 202 PetscReal shift = 1/(th->Theta*ts->time_step); 203 th->stage_time = ts->ptime + (th->endpoint ? (PetscReal)1 : th->Theta)*ts->time_step; 204 205 ierr = VecCopy(th->X0,th->X);CHKERRQ(ierr); 206 if (th->extrapolate && !ts->steprestart) { 207 ierr = VecAXPY(th->X,1/shift,th->Xdot);CHKERRQ(ierr); 208 } 209 if (th->endpoint) { /* This formulation assumes linear time-independent mass matrix */ 210 if (!th->affine) {ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr);} 211 ierr = VecZeroEntries(th->Xdot);CHKERRQ(ierr); 212 ierr = TSComputeIFunction(ts,ts->ptime,th->X0,th->Xdot,th->affine,PETSC_FALSE);CHKERRQ(ierr); 213 ierr = VecScale(th->affine,(th->Theta-1)/th->Theta);CHKERRQ(ierr); 214 } else if (th->affine) { /* Just in case th->endpoint is changed between calls to TSStep_Theta() */ 215 ierr = VecZeroEntries(th->affine);CHKERRQ(ierr); 216 } 217 ierr = TSPreStage(ts,th->stage_time);CHKERRQ(ierr); 218 ierr = TSTheta_SNESSolve(ts,th->affine,th->X);CHKERRQ(ierr); 219 ierr = TSPostStage(ts,th->stage_time,0,&th->X);CHKERRQ(ierr); 220 ierr = TSAdaptCheckStage(ts->adapt,ts,th->stage_time,th->X,&stageok);CHKERRQ(ierr); 221 if (!stageok) goto reject_step; 222 223 th->status = TS_STEP_PENDING; 224 if (th->endpoint) { 225 ierr = VecCopy(th->X,ts->vec_sol);CHKERRQ(ierr); 226 } else { 227 ierr = VecAXPBYPCZ(th->Xdot,-shift,shift,0,th->X0,th->X);CHKERRQ(ierr); 228 ierr = VecAXPY(ts->vec_sol,ts->time_step,th->Xdot);CHKERRQ(ierr); 229 } 230 ierr = TSAdaptChoose(ts->adapt,ts,ts->time_step,NULL,&next_time_step,&accept);CHKERRQ(ierr); 231 th->status = accept ? TS_STEP_COMPLETE : TS_STEP_INCOMPLETE; 232 if (!accept) { 233 ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr); 234 ts->time_step = next_time_step; 235 goto reject_step; 236 } 237 238 if (ts->forward_solve || ts->costintegralfwd) { /* Save the info for the later use in cost integral evaluation */ 239 th->ptime = ts->ptime; 240 th->time_step = ts->time_step; 241 } 242 243 ts->ptime += ts->time_step; 244 ts->time_step = next_time_step; 245 break; 246 247 reject_step: 248 ts->reject++; accept = PETSC_FALSE; 249 if (!ts->reason && ++rejections > ts->max_reject && ts->max_reject >= 0) { 250 ts->reason = TS_DIVERGED_STEP_REJECTED; 251 ierr = PetscInfo2(ts,"Step=%D, step rejections %D greater than current TS allowed, stopping solve\n",ts->steps,rejections);CHKERRQ(ierr); 252 } 253 } 254 PetscFunctionReturn(0); 255 } 256 257 static PetscErrorCode TSAdjointStepBEuler_Private(TS ts) 258 { 259 TS_Theta *th = (TS_Theta*)ts->data; 260 Vec *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp; 261 Vec *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp; 262 PetscInt nadj; 263 Mat J,Jp; 264 KSP ksp; 265 PetscReal shift; 266 PetscScalar *xarr; 267 PetscErrorCode ierr; 268 269 PetscFunctionBegin; 270 th->status = TS_STEP_INCOMPLETE; 271 ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr); 272 ierr = TSGetIJacobian(ts,&J,&Jp,NULL,NULL);CHKERRQ(ierr); 273 274 /* If endpoint=1, th->ptime and th->X0 will be used; if endpoint=0, th->stage_time and th->X will be used. */ 275 th->stage_time = ts->ptime; /* time_step is negative*/ 276 th->ptime = ts->ptime + ts->time_step; 277 th->time_step = -ts->time_step; 278 279 /* Build RHS for first-order adjoint */ 280 if (ts->vec_costintegral) { /* Cost function has an integral term */ 281 ierr = TSComputeDRDUFunction(ts,th->stage_time,th->X,ts->vecs_drdu);CHKERRQ(ierr); 282 } 283 for (nadj=0; nadj<ts->numcost; nadj++) { 284 ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr); 285 ierr = VecScale(VecsSensiTemp[nadj],1./th->time_step);CHKERRQ(ierr); /* lambda_{n+1}/h */ 286 if (ts->vec_costintegral) { 287 ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 288 } 289 } 290 291 /* Build LHS for first-order adjoint */ 292 shift = 1./th->time_step; 293 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 294 ierr = KSPSetOperators(ksp,J,Jp);CHKERRQ(ierr); 295 296 /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */ 297 for (nadj=0; nadj<ts->numcost; nadj++) { 298 KSPConvergedReason kspreason; 299 ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr); 300 ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr); 301 if (kspreason < 0) { 302 ts->reason = TSADJOINT_DIVERGED_LINEAR_SOLVE; 303 ierr = PetscInfo2(ts,"Step=%D, %Dth cost function, transposed linear solve fails, stopping adjoint solve\n",ts->steps,nadj);CHKERRQ(ierr); 304 } 305 } 306 307 if (ts->vecs_sensi2) { /* U_{n+1} */ 308 /* Get w1 at t_{n+1} from TLM matrix */ 309 ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr); 310 ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr); 311 /* lambda_s^T F_UU w_1 */ 312 ierr = TSComputeIHessianProductFunction1(ts,th->stage_time,th->X,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr); 313 if (ts->vecs_fup) { 314 /* lambda_s^T F_UP w_2 */ 315 ierr = TSComputeIHessianProductFunction2(ts,th->stage_time,th->X,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr); 316 } 317 for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */ 318 ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr); 319 ierr = VecScale(VecsSensi2Temp[nadj],shift);CHKERRQ(ierr); 320 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr); 321 if (ts->vecs_fup) { 322 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_fup[nadj]);CHKERRQ(ierr); 323 } 324 } 325 /* Solve stage equation LHS X = RHS for second-order adjoint */ 326 for (nadj=0; nadj<ts->numcost; nadj++) { 327 ierr = KSPSolveTranspose(ksp,VecsSensi2Temp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr); 328 } 329 } 330 331 /* Update sensitivities, and evaluate integrals if there is any */ 332 shift = 0.0; 333 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); /* get -f_y */ 334 ierr = MatScale(J,-1.);CHKERRQ(ierr); 335 for (nadj=0; nadj<ts->numcost; nadj++) { 336 ierr = MatMultTransposeAdd(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr); 337 ierr = VecScale(VecsSensiTemp[nadj],th->time_step);CHKERRQ(ierr); 338 ierr = VecCopy(VecsSensiTemp[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr); 339 if (ts->vecs_sensi2) { 340 ierr = MatMultTransposeAdd(J,VecsDeltaLam2[nadj],VecsSensi2Temp[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr); 341 ierr = VecScale(VecsSensi2Temp[nadj],th->time_step);CHKERRQ(ierr); 342 ierr = VecCopy(VecsSensi2Temp[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr); 343 } 344 } 345 if (ts->vecs_sensip) { 346 ierr = TSComputeIJacobianP(ts,th->stage_time,th->X,th->Xdot,shift,ts->Jacp,PETSC_FALSE);CHKERRQ(ierr); /* get -f_p */ 347 if (ts->vecs_sensi2p) { 348 if (ts->vecs_fpu) { 349 /* lambda_s^T F_PU w_1 */ 350 ierr = TSComputeIHessianProductFunction3(ts,th->stage_time,th->X,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr); 351 } 352 if (ts->vecs_fpp) { 353 /* lambda_s^T F_PU w_2 */ 354 ierr = TSComputeIHessianProductFunction4(ts,th->stage_time,th->X,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr); 355 } 356 } 357 for (nadj=0; nadj<ts->numcost; nadj++) { 358 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr); 359 ierr = VecAXPY(ts->vecs_sensip[nadj],-th->time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr); 360 if (ts->vecs_sensi2p) { 361 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr); 362 ierr = VecAXPY(ts->vecs_sensi2p[nadj],-th->time_step,VecsDeltaMu2[nadj]);CHKERRQ(ierr); 363 if (ts->vecs_fpu) { 364 ierr = VecAXPY(ts->vecs_sensi2p[nadj],-th->time_step,ts->vecs_fpu[nadj]);CHKERRQ(ierr); 365 } 366 if (ts->vecs_fpp) { 367 ierr = VecAXPY(ts->vecs_sensi2p[nadj],-th->time_step,ts->vecs_fpp[nadj]);CHKERRQ(ierr); 368 } 369 } 370 } 371 if (ts->vec_costintegral) { 372 ierr = TSComputeDRDPFunction(ts,th->stage_time,th->X,ts->vecs_drdp);CHKERRQ(ierr); 373 for (nadj=0; nadj<ts->numcost; nadj++) { 374 ierr = VecAXPY(ts->vecs_sensip[nadj],th->time_step,ts->vecs_drdp[nadj]);CHKERRQ(ierr); 375 } 376 } 377 } 378 379 if (ts->vecs_sensi2) { 380 ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr); 381 ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr); 382 } 383 th->status = TS_STEP_COMPLETE; 384 PetscFunctionReturn(0); 385 } 386 387 static PetscErrorCode TSAdjointStep_Theta(TS ts) 388 { 389 TS_Theta *th = (TS_Theta*)ts->data; 390 Vec *VecsDeltaLam = th->VecsDeltaLam,*VecsDeltaMu = th->VecsDeltaMu,*VecsSensiTemp = th->VecsSensiTemp; 391 Vec *VecsDeltaLam2 = th->VecsDeltaLam2,*VecsDeltaMu2 = th->VecsDeltaMu2,*VecsSensi2Temp = th->VecsSensi2Temp; 392 PetscInt nadj; 393 Mat J,Jp; 394 KSP ksp; 395 PetscReal shift; 396 PetscScalar *xarr; 397 PetscErrorCode ierr; 398 399 PetscFunctionBegin; 400 if (th->Theta == 1.) { 401 ierr = TSAdjointStepBEuler_Private(ts);CHKERRQ(ierr); 402 PetscFunctionReturn(0); 403 } 404 th->status = TS_STEP_INCOMPLETE; 405 ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr); 406 ierr = TSGetIJacobian(ts,&J,&Jp,NULL,NULL);CHKERRQ(ierr); 407 408 /* If endpoint=1, th->ptime and th->X0 will be used; if endpoint=0, th->stage_time and th->X will be used. */ 409 th->stage_time = th->endpoint ? ts->ptime : (ts->ptime+(1.-th->Theta)*ts->time_step); /* time_step is negative*/ 410 th->ptime = ts->ptime + ts->time_step; 411 th->time_step = -ts->time_step; 412 413 /* Build RHS for first-order adjoint */ 414 if (ts->vec_costintegral) { /* Cost function has an integral term */ 415 if (th->endpoint) { 416 ierr = TSComputeDRDUFunction(ts,th->stage_time,ts->vec_sol,ts->vecs_drdu);CHKERRQ(ierr); 417 } else { 418 ierr = TSComputeDRDUFunction(ts,th->stage_time,th->X,ts->vecs_drdu);CHKERRQ(ierr); 419 } 420 } 421 for (nadj=0; nadj<ts->numcost; nadj++) { 422 ierr = VecCopy(ts->vecs_sensi[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr); 423 ierr = VecScale(VecsSensiTemp[nadj],1./(th->Theta*th->time_step));CHKERRQ(ierr); 424 if (ts->vec_costintegral) { 425 ierr = VecAXPY(VecsSensiTemp[nadj],1.,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 426 } 427 } 428 429 /* Build LHS for first-order adjoint */ 430 shift = 1./(th->Theta*th->time_step); 431 if (th->endpoint) { 432 ierr = TSComputeIJacobian(ts,th->stage_time,ts->vec_sol,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 433 } else { 434 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 435 } 436 ierr = KSPSetOperators(ksp,J,Jp);CHKERRQ(ierr); 437 438 /* Solve stage equation LHS*lambda_s = RHS for first-order adjoint */ 439 for (nadj=0; nadj<ts->numcost; nadj++) { 440 ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam[nadj]);CHKERRQ(ierr); 441 } 442 443 if (ts->vecs_sensi2) { /* U_{n+1} */ 444 if (!th->endpoint) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_SUP,"Operation not implemented in TS_Theta"); 445 /* Get w1 at t_{n+1} from TLM matrix */ 446 ierr = MatDenseGetColumn(ts->mat_sensip,0,&xarr);CHKERRQ(ierr); 447 ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr); 448 /* lambda_s^T F_UU w_1 */ 449 ierr = TSComputeIHessianProductFunction1(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr); 450 ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr); 451 ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr); 452 if (ts->vecs_fup) { 453 /* lambda_s^T F_UP w_2 */ 454 ierr = TSComputeIHessianProductFunction2(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr); 455 } 456 for (nadj=0; nadj<ts->numcost; nadj++) { /* compute the residual */ 457 ierr = VecCopy(ts->vecs_sensi2[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr); 458 ierr = VecScale(VecsSensi2Temp[nadj],1./shift);CHKERRQ(ierr); 459 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr); 460 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_fuu[nadj]);CHKERRQ(ierr); 461 if (ts->vecs_fup) { 462 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_fup[nadj]);CHKERRQ(ierr); 463 } 464 if (ts->vec_costintegral) { 465 ierr = VecAXPY(VecsSensi2Temp[nadj],1.,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 466 } 467 } 468 /* Solve stage equation LHS X = RHS for second-order adjoint */ 469 for (nadj=0; nadj<ts->numcost; nadj++) { 470 ierr = KSPSolveTranspose(ksp,VecsSensiTemp[nadj],VecsDeltaLam2[nadj]);CHKERRQ(ierr); 471 } 472 } 473 474 /* Update sensitivities, and evaluate integrals if there is any */ 475 if(th->endpoint) { /* two-stage Theta methods */ 476 if (th->Theta!=1.) { /* general case */ 477 shift = 1./((th->Theta-1.)*th->time_step); 478 ierr = TSComputeIJacobian(ts,th->ptime,th->X0,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 479 if (ts->vec_costintegral) { /* R_U at t_n */ 480 ierr = TSComputeDRDUFunction(ts,th->ptime,th->X0,ts->vecs_drdu);CHKERRQ(ierr); 481 } 482 for (nadj=0; nadj<ts->numcost; nadj++) { 483 ierr = MatMultTranspose(J,VecsDeltaLam[nadj],ts->vecs_sensi[nadj]);CHKERRQ(ierr); 484 ierr = VecScale(ts->vecs_sensi[nadj],1./shift);CHKERRQ(ierr); 485 if (ts->vec_costintegral) { 486 ierr = VecAXPY(ts->vecs_sensi[nadj],-1./shift,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 487 } 488 } 489 if (ts->vecs_sensi2) { /* second-order */ 490 /* Get w1 at t_n from TLM matrix */ 491 ierr = MatDenseGetColumn(th->MatFwdSensip0,0,&xarr);CHKERRQ(ierr); 492 ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr); 493 /* lambda_s^T F_UU w_1 */ 494 ierr = TSComputeIHessianProductFunction1(ts,th->ptime,th->X0,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fuu);CHKERRQ(ierr); 495 ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr); 496 ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr); 497 if (ts->vecs_fup) { 498 /* lambda_s^T F_UU w_2 */ 499 ierr = TSComputeIHessianProductFunction2(ts,th->ptime,th->X0,VecsDeltaLam,ts->vec_dir,ts->vecs_fup);CHKERRQ(ierr); 500 } 501 for (nadj=0; nadj<ts->numcost; nadj++) { 502 /* M^T Lambda_s + h(1-theta) F_U^T Lambda_s + h(1-theta) R_U */ 503 ierr = MatMultTranspose(J,VecsDeltaLam2[nadj],ts->vecs_sensi2[nadj]);CHKERRQ(ierr); 504 ierr = VecScale(ts->vecs_sensi2[nadj],1./shift);CHKERRQ(ierr); 505 ierr = VecAXPY(ts->vecs_sensi2[nadj],-1./shift,ts->vecs_fuu[nadj]);CHKERRQ(ierr); 506 ierr = VecAXPY(ts->vecs_sensi2[nadj],-1./shift,ts->vecs_fuu[nadj]);CHKERRQ(ierr); 507 if (ts->vecs_fup) { 508 ierr = VecAXPY(ts->vecs_sensi2[nadj],-1./shift,ts->vecs_fup[nadj]);CHKERRQ(ierr); 509 } 510 if (ts->vec_costintegral) { 511 ierr = VecAXPY(ts->vecs_sensi2[nadj],-1./shift,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 512 } 513 } 514 } 515 } else { /* backward Euler */ 516 shift = 0.0; 517 ierr = TSComputeIJacobian(ts,th->stage_time,ts->vec_sol,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); /* get -f_u */ 518 for (nadj=0; nadj<ts->numcost; nadj++) { 519 ierr = MatMultTranspose(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr); 520 ierr = VecAXPY(ts->vecs_sensi[nadj],-th->time_step,VecsSensiTemp[nadj]);CHKERRQ(ierr); 521 if (ts->vec_costintegral) { /* wrong? */ 522 ierr = VecAXPY(ts->vecs_sensi[nadj],th->time_step,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 523 } 524 } 525 if (ts->vecs_sensi2) { 526 for (nadj=0; nadj<ts->numcost; nadj++) { 527 ierr = MatMultTranspose(J,VecsDeltaLam[nadj],VecsSensi2Temp[nadj]);CHKERRQ(ierr); 528 ierr = VecAXPY(ts->vecs_sensi2[nadj],-th->time_step,VecsSensi2Temp[nadj]);CHKERRQ(ierr); 529 } 530 } 531 } 532 533 if (ts->vecs_sensip) { /* sensitivities wrt parameters */ 534 /* U_{n+1} */ 535 ierr = TSComputeRHSJacobianP(ts,th->stage_time,ts->vec_sol,ts->Jacp);CHKERRQ(ierr); 536 if (ts->vec_costintegral) { 537 ierr = TSComputeDRDPFunction(ts,th->stage_time,ts->vec_sol,ts->vecs_drdp);CHKERRQ(ierr); 538 } 539 for (nadj=0; nadj<ts->numcost; nadj++) { 540 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr); 541 ierr = VecAXPY(ts->vecs_sensip[nadj],th->time_step*th->Theta,VecsDeltaMu[nadj]);CHKERRQ(ierr); 542 } 543 if (ts->vecs_sensip2) { /* second-order */ 544 /* lambda_s^T F_PU w_1 */ 545 ierr = TSComputeIHessianProductFunction3(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr); 546 /* lambda_s^T F_PP w_2 */ 547 ierr = TSComputeIHessianProductFunction4(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr); 548 for (nadj=0; nadj<ts->numcost; nadj++) { 549 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr); 550 ierr = VecAXPY(ts->vecs_sensip2[nadj],th->time_step*th->Theta,VecsDeltaMu2[nadj]);CHKERRQ(ierr); 551 if (ts->vecs_fpu) { 552 ierr = VecAXPY(ts->vecs_sensi2[nadj],th->time_step*th->Theta,ts->vecs_fpu[nadj]);CHKERRQ(ierr); 553 } 554 if (ts->vecs_fpp) { 555 ierr = VecAXPY(ts->vecs_sensi2[nadj],th->time_step*th->Theta,ts->vecs_fpp[nadj]);CHKERRQ(ierr); 556 } 557 if (ts->vec_costintegral) { 558 ierr = VecAXPY(ts->vecs_sensip2[nadj],th->time_step*th->Theta,ts->vecs_drdp[nadj]);CHKERRQ(ierr); 559 } 560 } 561 } 562 563 /* U_s */ 564 if (th->Theta!=1.) { 565 ierr = TSComputeRHSJacobianP(ts,th->ptime,th->X0,ts->Jacp);CHKERRQ(ierr); 566 if (ts->vec_costintegral) { 567 ierr = TSComputeDRDPFunction(ts,th->ptime,th->X0,ts->vecs_drdp);CHKERRQ(ierr); 568 } 569 for (nadj=0; nadj<ts->numcost; nadj++) { 570 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr); 571 ierr = VecAXPY(ts->vecs_sensip[nadj],th->time_step*(1.-th->Theta),VecsDeltaMu[nadj]);CHKERRQ(ierr); 572 if (ts->vecs_sensip2) { /* second-order */ 573 /* lambda_s^T F_PU w_1 */ 574 ierr = TSComputeIHessianProductFunction3(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_sensip_col,ts->vecs_fpu);CHKERRQ(ierr); 575 /* lambda_s^T F_PP w_2 */ 576 ierr = TSComputeIHessianProductFunction4(ts,th->stage_time,ts->vec_sol,VecsDeltaLam,ts->vec_dir,ts->vecs_fpp);CHKERRQ(ierr); 577 for (nadj=0; nadj<ts->numcost; nadj++) { 578 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam2[nadj],VecsDeltaMu2[nadj]);CHKERRQ(ierr); 579 ierr = VecAXPY(ts->vecs_sensip2[nadj],th->time_step*(1.-th->Theta),VecsDeltaMu2[nadj]);CHKERRQ(ierr); 580 if (ts->vecs_fpu) { 581 ierr = VecAXPY(ts->vecs_sensi2[nadj],th->time_step*(1.-th->Theta),ts->vecs_fpu[nadj]);CHKERRQ(ierr); 582 } 583 if (ts->vecs_fpp) { 584 ierr = VecAXPY(ts->vecs_sensi2[nadj],th->time_step*(1.-th->Theta),ts->vecs_fpp[nadj]);CHKERRQ(ierr); 585 } 586 if (ts->vec_costintegral) { 587 ierr = VecAXPY(ts->vecs_sensip2[nadj],th->time_step*(1.-th->Theta),ts->vecs_drdp[nadj]);CHKERRQ(ierr); 588 } 589 } 590 } 591 } 592 } 593 } 594 } else { /* one-stage case */ 595 shift = 0.0; 596 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); /* get -f_y */ 597 if (ts->vec_costintegral) { 598 ierr = TSComputeDRDUFunction(ts,th->stage_time,th->X,ts->vecs_drdu);CHKERRQ(ierr); 599 } 600 for (nadj=0; nadj<ts->numcost; nadj++) { 601 ierr = MatMultTranspose(J,VecsDeltaLam[nadj],VecsSensiTemp[nadj]);CHKERRQ(ierr); 602 ierr = VecAXPY(ts->vecs_sensi[nadj],-th->time_step,VecsSensiTemp[nadj]);CHKERRQ(ierr); 603 if (ts->vec_costintegral) { 604 ierr = VecAXPY(ts->vecs_sensi[nadj],th->time_step,ts->vecs_drdu[nadj]);CHKERRQ(ierr); 605 } 606 } 607 if (ts->vecs_sensip) { 608 ierr = TSComputeRHSJacobianP(ts,th->stage_time,th->X,ts->Jacp);CHKERRQ(ierr); 609 for (nadj=0; nadj<ts->numcost; nadj++) { 610 ierr = MatMultTranspose(ts->Jacp,VecsDeltaLam[nadj],VecsDeltaMu[nadj]);CHKERRQ(ierr); 611 ierr = VecAXPY(ts->vecs_sensip[nadj],th->time_step,VecsDeltaMu[nadj]);CHKERRQ(ierr); 612 } 613 if (ts->vec_costintegral) { 614 ierr = TSComputeDRDPFunction(ts,th->stage_time,th->X,ts->vecs_drdp);CHKERRQ(ierr); 615 for (nadj=0; nadj<ts->numcost; nadj++) { 616 ierr = VecAXPY(ts->vecs_sensip[nadj],th->time_step,ts->vecs_drdp[nadj]);CHKERRQ(ierr); 617 } 618 } 619 } 620 } 621 622 th->status = TS_STEP_COMPLETE; 623 PetscFunctionReturn(0); 624 } 625 626 static PetscErrorCode TSInterpolate_Theta(TS ts,PetscReal t,Vec X) 627 { 628 TS_Theta *th = (TS_Theta*)ts->data; 629 PetscReal dt = t - ts->ptime; 630 PetscErrorCode ierr; 631 632 PetscFunctionBegin; 633 ierr = VecCopy(ts->vec_sol,th->X);CHKERRQ(ierr); 634 if (th->endpoint) dt *= th->Theta; 635 ierr = VecWAXPY(X,dt,th->Xdot,th->X);CHKERRQ(ierr); 636 PetscFunctionReturn(0); 637 } 638 639 static PetscErrorCode TSEvaluateWLTE_Theta(TS ts,NormType wnormtype,PetscInt *order,PetscReal *wlte) 640 { 641 TS_Theta *th = (TS_Theta*)ts->data; 642 Vec X = ts->vec_sol; /* X = solution */ 643 Vec Y = th->vec_lte_work; /* Y = X + LTE */ 644 PetscReal wltea,wlter; 645 PetscErrorCode ierr; 646 647 PetscFunctionBegin; 648 if (!th->vec_sol_prev) {*wlte = -1; PetscFunctionReturn(0);} 649 /* Cannot compute LTE in first step or in restart after event */ 650 if (ts->steprestart) {*wlte = -1; PetscFunctionReturn(0);} 651 /* Compute LTE using backward differences with non-constant time step */ 652 { 653 PetscReal h = ts->time_step, h_prev = ts->ptime - ts->ptime_prev; 654 PetscReal a = 1 + h_prev/h; 655 PetscScalar scal[3]; Vec vecs[3]; 656 scal[0] = +1/a; scal[1] = -1/(a-1); scal[2] = +1/(a*(a-1)); 657 vecs[0] = X; vecs[1] = th->X0; vecs[2] = th->vec_sol_prev; 658 ierr = VecCopy(X,Y);CHKERRQ(ierr); 659 ierr = VecMAXPY(Y,3,scal,vecs);CHKERRQ(ierr); 660 ierr = TSErrorWeightedNorm(ts,X,Y,wnormtype,wlte,&wltea,&wlter);CHKERRQ(ierr); 661 } 662 if (order) *order = 2; 663 PetscFunctionReturn(0); 664 } 665 666 static PetscErrorCode TSRollBack_Theta(TS ts) 667 { 668 TS_Theta *th = (TS_Theta*)ts->data; 669 PetscInt ncost; 670 PetscErrorCode ierr; 671 672 PetscFunctionBegin; 673 ierr = VecCopy(th->X0,ts->vec_sol);CHKERRQ(ierr); 674 if (ts->vec_costintegral && ts->costintegralfwd) { 675 ierr = VecCopy(th->VecCostIntegral0,ts->vec_costintegral);CHKERRQ(ierr); 676 } 677 th->status = TS_STEP_INCOMPLETE; 678 if (ts->mat_sensip) { 679 ierr = MatCopy(th->MatFwdSensip0,ts->mat_sensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); 680 } 681 if (ts->vecs_integral_sensip) { 682 for (ncost=0;ncost<ts->numcost;ncost++) { 683 ierr = VecCopy(th->VecsIntegralSensip0[ncost],ts->vecs_integral_sensip[ncost]);CHKERRQ(ierr); 684 } 685 } 686 PetscFunctionReturn(0); 687 } 688 689 static PetscErrorCode TSForwardStep_Theta(TS ts) 690 { 691 TS_Theta *th = (TS_Theta*)ts->data; 692 Mat MatDeltaFwdSensip = th->MatDeltaFwdSensip; 693 Vec VecDeltaFwdSensipCol = th->VecDeltaFwdSensipCol; 694 PetscInt ncost,ntlm; 695 KSP ksp; 696 Mat J,Jp; 697 PetscReal shift; 698 PetscScalar *barr,*xarr; 699 PetscErrorCode ierr; 700 701 PetscFunctionBegin; 702 ierr = MatCopy(ts->mat_sensip,th->MatFwdSensip0,SAME_NONZERO_PATTERN);CHKERRQ(ierr); 703 704 for (ncost=0; ncost<ts->numcost; ncost++) { 705 if (ts->vecs_integral_sensip) { 706 ierr = VecCopy(ts->vecs_integral_sensip[ncost],th->VecsIntegralSensip0[ncost]);CHKERRQ(ierr); 707 } 708 } 709 710 ierr = SNESGetKSP(ts->snes,&ksp);CHKERRQ(ierr); 711 ierr = TSGetIJacobian(ts,&J,&Jp,NULL,NULL);CHKERRQ(ierr); 712 713 /* Build RHS */ 714 if (th->endpoint) { /* 2-stage method*/ 715 shift = 1./((th->Theta-1.)*th->time_step); 716 ierr = TSComputeIJacobian(ts,th->ptime,th->X0,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 717 ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr); 718 ierr = MatScale(MatDeltaFwdSensip,(th->Theta-1.)/th->Theta);CHKERRQ(ierr); 719 720 /* Add the f_p forcing terms */ 721 if (ts->Jacp) { 722 ierr = TSComputeRHSJacobianP(ts,th->ptime,th->X0,ts->Jacp);CHKERRQ(ierr); 723 ierr = MatAXPY(MatDeltaFwdSensip,(1.-th->Theta)/th->Theta,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr); 724 ierr = TSComputeRHSJacobianP(ts,th->stage_time,ts->vec_sol,ts->Jacp);CHKERRQ(ierr); 725 ierr = MatAXPY(MatDeltaFwdSensip,1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr); 726 } 727 } else { /* 1-stage method */ 728 shift = 0.0; 729 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 730 ierr = MatMatMult(J,ts->mat_sensip,MAT_REUSE_MATRIX,PETSC_DEFAULT,&MatDeltaFwdSensip);CHKERRQ(ierr); 731 ierr = MatScale(MatDeltaFwdSensip,-1.);CHKERRQ(ierr); 732 733 /* Add the f_p forcing terms */ 734 if (ts->Jacp) { 735 ierr = TSComputeRHSJacobianP(ts,th->stage_time,th->X,ts->Jacp);CHKERRQ(ierr); 736 ierr = MatAXPY(MatDeltaFwdSensip,1.,ts->Jacp,SUBSET_NONZERO_PATTERN);CHKERRQ(ierr); 737 } 738 } 739 740 /* Build LHS */ 741 shift = 1/(th->Theta*th->time_step); 742 if (th->endpoint) { 743 ierr = TSComputeIJacobian(ts,th->stage_time,ts->vec_sol,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 744 } else { 745 ierr = TSComputeIJacobian(ts,th->stage_time,th->X,th->Xdot,shift,J,Jp,PETSC_FALSE);CHKERRQ(ierr); 746 } 747 ierr = KSPSetOperators(ksp,J,Jp);CHKERRQ(ierr); 748 749 /* 750 Evaluate the first stage of integral gradients with the 2-stage method: 751 drdu|t_n*S(t_n) + drdp|t_n 752 This is done before the linear solve because the sensitivity variable S(t_n) will be propagated to S(t_{n+1}) 753 */ 754 if (th->endpoint) { /* 2-stage method only */ 755 if (ts->vecs_integral_sensip) { 756 ierr = TSComputeDRDUFunction(ts,th->ptime,th->X0,ts->vecs_drdu);CHKERRQ(ierr); 757 if (ts->vecs_drdp) { 758 ierr = TSComputeDRDPFunction(ts,th->ptime,th->X0,ts->vecs_drdp);CHKERRQ(ierr); 759 } 760 for (ncost=0; ncost<ts->numcost; ncost++) { 761 ierr = MatMultTranspose(ts->mat_sensip,ts->vecs_drdu[ncost],th->VecIntegralSensipTemp);CHKERRQ(ierr); 762 if (ts->vecs_drdp) { 763 ierr = VecAXPY(th->VecIntegralSensipTemp,1,ts->vecs_drdp[ncost]);CHKERRQ(ierr); 764 } 765 ierr = VecAXPY(ts->vecs_integral_sensip[ncost],th->time_step*(1.-th->Theta),th->VecIntegralSensipTemp);CHKERRQ(ierr); 766 } 767 } 768 } 769 770 /* Solve the tangent linear equation for forward sensitivities to parameters */ 771 for (ntlm=0; ntlm<th->num_tlm; ntlm++) { 772 KSPConvergedReason kspreason; 773 ierr = MatDenseGetColumn(MatDeltaFwdSensip,ntlm,&barr);CHKERRQ(ierr); 774 ierr = VecPlaceArray(VecDeltaFwdSensipCol,barr);CHKERRQ(ierr); 775 if (th->endpoint) { 776 ierr = MatDenseGetColumn(ts->mat_sensip,ntlm,&xarr);CHKERRQ(ierr); 777 ierr = VecPlaceArray(ts->vec_sensip_col,xarr);CHKERRQ(ierr); 778 ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,ts->vec_sensip_col);CHKERRQ(ierr); 779 ierr = VecResetArray(ts->vec_sensip_col);CHKERRQ(ierr); 780 ierr = MatDenseRestoreColumn(ts->mat_sensip,&xarr);CHKERRQ(ierr); 781 } else { 782 ierr = KSPSolve(ksp,VecDeltaFwdSensipCol,VecDeltaFwdSensipCol);CHKERRQ(ierr); 783 } 784 ierr = KSPGetConvergedReason(ksp,&kspreason);CHKERRQ(ierr); 785 if (kspreason < 0) { 786 ts->reason = TSFORWARD_DIVERGED_LINEAR_SOLVE; 787 ierr = PetscInfo2(ts,"Step=%D, %Dth tangent linear solve, linear solve fails, stopping tangent linear solve\n",ts->steps,ntlm);CHKERRQ(ierr); 788 } 789 ierr = VecResetArray(VecDeltaFwdSensipCol);CHKERRQ(ierr); 790 ierr = MatDenseRestoreColumn(MatDeltaFwdSensip,&barr);CHKERRQ(ierr); 791 } 792 793 794 /* 795 Evaluate the second stage of integral gradients with the 2-stage method: 796 drdu|t_{n+1}*S(t_{n+1}) + drdp|t_{n+1} 797 */ 798 if (ts->vecs_integral_sensip) { 799 if (!th->endpoint) { 800 ierr = MatAXPY(ts->mat_sensip,1,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); 801 ierr = TSComputeDRDUFunction(ts,th->stage_time,th->X,ts->vecs_drdu);CHKERRQ(ierr); 802 if (ts->vecs_drdp) { 803 ierr = TSComputeDRDPFunction(ts,th->stage_time,th->X,ts->vecs_drdp);CHKERRQ(ierr); 804 } 805 for (ncost=0; ncost<ts->numcost; ncost++) { 806 ierr = MatMultTranspose(ts->mat_sensip,ts->vecs_drdu[ncost],th->VecIntegralSensipTemp);CHKERRQ(ierr); 807 if (ts->vecs_drdp) { 808 ierr = VecAXPY(th->VecIntegralSensipTemp,1,ts->vecs_drdp[ncost]);CHKERRQ(ierr); 809 } 810 ierr = VecAXPY(ts->vecs_integral_sensip[ncost],th->time_step,th->VecIntegralSensipTemp);CHKERRQ(ierr); 811 } 812 ierr = MatAXPY(ts->mat_sensip,(1.-th->Theta)/th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); 813 } else { 814 ierr = TSComputeDRDUFunction(ts,th->stage_time,ts->vec_sol,ts->vecs_drdu);CHKERRQ(ierr); 815 if (ts->vecs_drdp) { 816 ierr = TSComputeDRDPFunction(ts,th->stage_time,ts->vec_sol,ts->vecs_drdp);CHKERRQ(ierr); 817 } 818 for (ncost=0; ncost<ts->numcost; ncost++) { 819 ierr = MatMultTranspose(ts->mat_sensip,ts->vecs_drdu[ncost],th->VecIntegralSensipTemp);CHKERRQ(ierr); 820 if (ts->vecs_drdp) { 821 ierr = VecAXPY(th->VecIntegralSensipTemp,1,ts->vecs_drdp[ncost]);CHKERRQ(ierr); 822 } 823 ierr = VecAXPY(ts->vecs_integral_sensip[ncost],th->time_step*th->Theta,th->VecIntegralSensipTemp);CHKERRQ(ierr); 824 } 825 } 826 } else { 827 if (!th->endpoint) { 828 ierr = MatAXPY(ts->mat_sensip,1./th->Theta,MatDeltaFwdSensip,SAME_NONZERO_PATTERN);CHKERRQ(ierr); 829 } 830 } 831 PetscFunctionReturn(0); 832 } 833 834 static PetscErrorCode TSForwardGetStages_Theta(TS ts,PetscInt *ns,Mat **stagesensip) 835 { 836 TS_Theta *th = (TS_Theta*)ts->data; 837 838 PetscFunctionBegin; 839 if (ns) *ns = 1; 840 if (stagesensip) *stagesensip = th->endpoint ? &(th->MatFwdSensip0) : &(th->MatDeltaFwdSensip); 841 PetscFunctionReturn(0); 842 } 843 844 /*------------------------------------------------------------*/ 845 static PetscErrorCode TSReset_Theta(TS ts) 846 { 847 TS_Theta *th = (TS_Theta*)ts->data; 848 PetscErrorCode ierr; 849 850 PetscFunctionBegin; 851 ierr = VecDestroy(&th->X);CHKERRQ(ierr); 852 ierr = VecDestroy(&th->Xdot);CHKERRQ(ierr); 853 ierr = VecDestroy(&th->X0);CHKERRQ(ierr); 854 ierr = VecDestroy(&th->affine);CHKERRQ(ierr); 855 856 ierr = VecDestroy(&th->vec_sol_prev);CHKERRQ(ierr); 857 ierr = VecDestroy(&th->vec_lte_work);CHKERRQ(ierr); 858 859 ierr = VecDestroy(&th->VecCostIntegral0);CHKERRQ(ierr); 860 if (ts->forward_solve) { 861 if (ts->vecs_integral_sensip) { 862 ierr = VecDestroy(&th->VecIntegralSensipTemp);CHKERRQ(ierr); 863 ierr = VecDestroyVecs(ts->numcost,&th->VecsIntegralSensip0);CHKERRQ(ierr); 864 } 865 ierr = VecDestroy(&th->VecDeltaFwdSensipCol);CHKERRQ(ierr); 866 ierr = MatDestroy(&th->MatDeltaFwdSensip);CHKERRQ(ierr); 867 ierr = MatDestroy(&th->MatFwdSensip0);CHKERRQ(ierr); 868 } 869 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr); 870 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr); 871 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr); 872 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr); 873 ierr = VecDestroyVecs(ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr); 874 ierr = VecDestroyVecs(ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr); 875 876 PetscFunctionReturn(0); 877 } 878 879 static PetscErrorCode TSAdjointReset_Theta(TS ts) 880 { 881 TS_Theta *th = (TS_Theta*)ts->data; 882 PetscErrorCode ierr; 883 884 PetscFunctionBegin; 885 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr); 886 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr); 887 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr); 888 ierr = VecDestroyVecs(ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr); 889 ierr = VecDestroyVecs(ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr); 890 ierr = VecDestroyVecs(ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr); 891 PetscFunctionReturn(0); 892 } 893 894 static PetscErrorCode TSDestroy_Theta(TS ts) 895 { 896 PetscErrorCode ierr; 897 898 PetscFunctionBegin; 899 ierr = TSReset_Theta(ts);CHKERRQ(ierr); 900 if (ts->dm) { 901 ierr = DMCoarsenHookRemove(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr); 902 ierr = DMSubDomainHookRemove(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr); 903 } 904 ierr = PetscFree(ts->data);CHKERRQ(ierr); 905 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",NULL);CHKERRQ(ierr); 906 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",NULL);CHKERRQ(ierr); 907 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",NULL);CHKERRQ(ierr); 908 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",NULL);CHKERRQ(ierr); 909 PetscFunctionReturn(0); 910 } 911 912 /* 913 This defines the nonlinear equation that is to be solved with SNES 914 G(U) = F[t0+Theta*dt, U, (U-U0)*shift] = 0 915 */ 916 static PetscErrorCode SNESTSFormFunction_Theta(SNES snes,Vec x,Vec y,TS ts) 917 { 918 TS_Theta *th = (TS_Theta*)ts->data; 919 PetscErrorCode ierr; 920 Vec X0,Xdot; 921 DM dm,dmsave; 922 PetscReal shift = 1/(th->Theta*ts->time_step); 923 924 PetscFunctionBegin; 925 ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr); 926 /* When using the endpoint variant, this is actually 1/Theta * Xdot */ 927 ierr = TSThetaGetX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr); 928 ierr = VecAXPBYPCZ(Xdot,-shift,shift,0,X0,x);CHKERRQ(ierr); 929 930 /* DM monkey-business allows user code to call TSGetDM() inside of functions evaluated on levels of FAS */ 931 dmsave = ts->dm; 932 ts->dm = dm; 933 ierr = TSComputeIFunction(ts,th->stage_time,x,Xdot,y,PETSC_FALSE);CHKERRQ(ierr); 934 ts->dm = dmsave; 935 ierr = TSThetaRestoreX0AndXdot(ts,dm,&X0,&Xdot);CHKERRQ(ierr); 936 PetscFunctionReturn(0); 937 } 938 939 static PetscErrorCode SNESTSFormJacobian_Theta(SNES snes,Vec x,Mat A,Mat B,TS ts) 940 { 941 TS_Theta *th = (TS_Theta*)ts->data; 942 PetscErrorCode ierr; 943 Vec Xdot; 944 DM dm,dmsave; 945 PetscReal shift = 1/(th->Theta*ts->time_step); 946 947 PetscFunctionBegin; 948 ierr = SNESGetDM(snes,&dm);CHKERRQ(ierr); 949 /* Xdot has already been computed in SNESTSFormFunction_Theta (SNES guarantees this) */ 950 ierr = TSThetaGetX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr); 951 952 dmsave = ts->dm; 953 ts->dm = dm; 954 ierr = TSComputeIJacobian(ts,th->stage_time,x,Xdot,shift,A,B,PETSC_FALSE);CHKERRQ(ierr); 955 ts->dm = dmsave; 956 ierr = TSThetaRestoreX0AndXdot(ts,dm,NULL,&Xdot);CHKERRQ(ierr); 957 PetscFunctionReturn(0); 958 } 959 960 static PetscErrorCode TSForwardSetUp_Theta(TS ts) 961 { 962 TS_Theta *th = (TS_Theta*)ts->data; 963 PetscErrorCode ierr; 964 965 PetscFunctionBegin; 966 /* combine sensitivities to parameters and sensitivities to initial values into one array */ 967 th->num_tlm = ts->num_parameters; 968 ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatDeltaFwdSensip);CHKERRQ(ierr); 969 if (ts->vecs_integral_sensip) { 970 ierr = VecDuplicate(ts->vecs_integral_sensip[0],&th->VecIntegralSensipTemp);CHKERRQ(ierr); 971 } 972 /* backup sensitivity results for roll-backs */ 973 ierr = MatDuplicate(ts->mat_sensip,MAT_DO_NOT_COPY_VALUES,&th->MatFwdSensip0);CHKERRQ(ierr); 974 975 if (ts->vecs_integral_sensip) { 976 ierr = VecDuplicateVecs(ts->vecs_integral_sensip[0],ts->numcost,&th->VecsIntegralSensip0);CHKERRQ(ierr); 977 } 978 ierr = VecDuplicate(ts->vec_sol,&th->VecDeltaFwdSensipCol);CHKERRQ(ierr); 979 ierr = VecDuplicate(ts->vec_sol,&ts->vec_sensip_col);CHKERRQ(ierr); 980 PetscFunctionReturn(0); 981 } 982 983 static PetscErrorCode TSForwardReset_Theta(TS ts) 984 { 985 TS_Theta *th = (TS_Theta*)ts->data; 986 PetscErrorCode ierr; 987 988 PetscFunctionBegin; 989 if (ts->vecs_integral_sensip) { 990 ierr = VecDestroy(&th->VecIntegralSensipTemp);CHKERRQ(ierr); 991 ierr = VecDestroyVecs(ts->numcost,&th->VecsIntegralSensip0);CHKERRQ(ierr); 992 } 993 ierr = VecDestroy(&th->VecDeltaFwdSensipCol);CHKERRQ(ierr); 994 ierr = MatDestroy(&th->MatDeltaFwdSensip);CHKERRQ(ierr); 995 ierr = MatDestroy(&th->MatFwdSensip0);CHKERRQ(ierr); 996 PetscFunctionReturn(0); 997 } 998 999 static PetscErrorCode TSSetUp_Theta(TS ts) 1000 { 1001 TS_Theta *th = (TS_Theta*)ts->data; 1002 PetscBool match; 1003 PetscErrorCode ierr; 1004 1005 PetscFunctionBegin; 1006 if (!th->VecCostIntegral0 && ts->vec_costintegral && ts->costintegralfwd) { /* back up cost integral */ 1007 ierr = VecDuplicate(ts->vec_costintegral,&th->VecCostIntegral0);CHKERRQ(ierr); 1008 } 1009 if (!th->X) { 1010 ierr = VecDuplicate(ts->vec_sol,&th->X);CHKERRQ(ierr); 1011 } 1012 if (!th->Xdot) { 1013 ierr = VecDuplicate(ts->vec_sol,&th->Xdot);CHKERRQ(ierr); 1014 } 1015 if (!th->X0) { 1016 ierr = VecDuplicate(ts->vec_sol,&th->X0);CHKERRQ(ierr); 1017 } 1018 if (th->endpoint) { 1019 ierr = VecDuplicate(ts->vec_sol,&th->affine);CHKERRQ(ierr); 1020 } 1021 1022 th->order = (th->Theta == 0.5) ? 2 : 1; 1023 1024 ierr = TSGetDM(ts,&ts->dm);CHKERRQ(ierr); 1025 ierr = DMCoarsenHookAdd(ts->dm,DMCoarsenHook_TSTheta,DMRestrictHook_TSTheta,ts);CHKERRQ(ierr); 1026 ierr = DMSubDomainHookAdd(ts->dm,DMSubDomainHook_TSTheta,DMSubDomainRestrictHook_TSTheta,ts);CHKERRQ(ierr); 1027 1028 ierr = TSGetAdapt(ts,&ts->adapt);CHKERRQ(ierr); 1029 ierr = TSAdaptCandidatesClear(ts->adapt);CHKERRQ(ierr); 1030 ierr = PetscObjectTypeCompare((PetscObject)ts->adapt,TSADAPTNONE,&match);CHKERRQ(ierr); 1031 if (!match) { 1032 ierr = VecDuplicate(ts->vec_sol,&th->vec_sol_prev);CHKERRQ(ierr); 1033 ierr = VecDuplicate(ts->vec_sol,&th->vec_lte_work);CHKERRQ(ierr); 1034 } 1035 ierr = TSGetSNES(ts,&ts->snes);CHKERRQ(ierr); 1036 PetscFunctionReturn(0); 1037 } 1038 1039 /*------------------------------------------------------------*/ 1040 1041 static PetscErrorCode TSAdjointSetUp_Theta(TS ts) 1042 { 1043 TS_Theta *th = (TS_Theta*)ts->data; 1044 PetscErrorCode ierr; 1045 1046 PetscFunctionBegin; 1047 ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam);CHKERRQ(ierr); 1048 ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsSensiTemp);CHKERRQ(ierr); 1049 if (ts->vecs_sensip) { 1050 ierr = VecDuplicateVecs(ts->vecs_sensip[0],ts->numcost,&th->VecsDeltaMu);CHKERRQ(ierr); 1051 } 1052 if (ts->vecs_sensi2) { 1053 ierr = VecDuplicateVecs(ts->vecs_sensi[0],ts->numcost,&th->VecsDeltaLam2);CHKERRQ(ierr); 1054 ierr = VecDuplicateVecs(ts->vecs_sensi2[0],ts->numcost,&th->VecsSensi2Temp);CHKERRQ(ierr); 1055 } 1056 if (ts->vecs_sensi2p) { 1057 ierr = VecDuplicateVecs(ts->vecs_sensi2p[0],ts->numcost,&th->VecsDeltaMu2);CHKERRQ(ierr); 1058 } 1059 PetscFunctionReturn(0); 1060 } 1061 1062 static PetscErrorCode TSSetFromOptions_Theta(PetscOptionItems *PetscOptionsObject,TS ts) 1063 { 1064 TS_Theta *th = (TS_Theta*)ts->data; 1065 PetscErrorCode ierr; 1066 1067 PetscFunctionBegin; 1068 ierr = PetscOptionsHead(PetscOptionsObject,"Theta ODE solver options");CHKERRQ(ierr); 1069 { 1070 ierr = PetscOptionsReal("-ts_theta_theta","Location of stage (0<Theta<=1)","TSThetaSetTheta",th->Theta,&th->Theta,NULL);CHKERRQ(ierr); 1071 ierr = PetscOptionsBool("-ts_theta_endpoint","Use the endpoint instead of midpoint form of the Theta method","TSThetaSetEndpoint",th->endpoint,&th->endpoint,NULL);CHKERRQ(ierr); 1072 ierr = PetscOptionsBool("-ts_theta_initial_guess_extrapolate","Extrapolate stage initial guess from previous solution (sometimes unstable)","TSThetaSetExtrapolate",th->extrapolate,&th->extrapolate,NULL);CHKERRQ(ierr); 1073 } 1074 ierr = PetscOptionsTail();CHKERRQ(ierr); 1075 PetscFunctionReturn(0); 1076 } 1077 1078 static PetscErrorCode TSView_Theta(TS ts,PetscViewer viewer) 1079 { 1080 TS_Theta *th = (TS_Theta*)ts->data; 1081 PetscBool iascii; 1082 PetscErrorCode ierr; 1083 1084 PetscFunctionBegin; 1085 ierr = PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&iascii);CHKERRQ(ierr); 1086 if (iascii) { 1087 ierr = PetscViewerASCIIPrintf(viewer," Theta=%g\n",(double)th->Theta);CHKERRQ(ierr); 1088 ierr = PetscViewerASCIIPrintf(viewer," Extrapolation=%s\n",th->extrapolate ? "yes" : "no");CHKERRQ(ierr); 1089 } 1090 PetscFunctionReturn(0); 1091 } 1092 1093 static PetscErrorCode TSThetaGetTheta_Theta(TS ts,PetscReal *theta) 1094 { 1095 TS_Theta *th = (TS_Theta*)ts->data; 1096 1097 PetscFunctionBegin; 1098 *theta = th->Theta; 1099 PetscFunctionReturn(0); 1100 } 1101 1102 static PetscErrorCode TSThetaSetTheta_Theta(TS ts,PetscReal theta) 1103 { 1104 TS_Theta *th = (TS_Theta*)ts->data; 1105 1106 PetscFunctionBegin; 1107 if (theta <= 0 || 1 < theta) SETERRQ1(PetscObjectComm((PetscObject)ts),PETSC_ERR_ARG_OUTOFRANGE,"Theta %g not in range (0,1]",(double)theta); 1108 th->Theta = theta; 1109 th->order = (th->Theta == 0.5) ? 2 : 1; 1110 PetscFunctionReturn(0); 1111 } 1112 1113 static PetscErrorCode TSThetaGetEndpoint_Theta(TS ts,PetscBool *endpoint) 1114 { 1115 TS_Theta *th = (TS_Theta*)ts->data; 1116 1117 PetscFunctionBegin; 1118 *endpoint = th->endpoint; 1119 PetscFunctionReturn(0); 1120 } 1121 1122 static PetscErrorCode TSThetaSetEndpoint_Theta(TS ts,PetscBool flg) 1123 { 1124 TS_Theta *th = (TS_Theta*)ts->data; 1125 1126 PetscFunctionBegin; 1127 th->endpoint = flg; 1128 PetscFunctionReturn(0); 1129 } 1130 1131 #if defined(PETSC_HAVE_COMPLEX) 1132 static PetscErrorCode TSComputeLinearStability_Theta(TS ts,PetscReal xr,PetscReal xi,PetscReal *yr,PetscReal *yi) 1133 { 1134 PetscComplex z = xr + xi*PETSC_i,f; 1135 TS_Theta *th = (TS_Theta*)ts->data; 1136 const PetscReal one = 1.0; 1137 1138 PetscFunctionBegin; 1139 f = (one + (one - th->Theta)*z)/(one - th->Theta*z); 1140 *yr = PetscRealPartComplex(f); 1141 *yi = PetscImaginaryPartComplex(f); 1142 PetscFunctionReturn(0); 1143 } 1144 #endif 1145 1146 static PetscErrorCode TSGetStages_Theta(TS ts,PetscInt *ns,Vec **Y) 1147 { 1148 TS_Theta *th = (TS_Theta*)ts->data; 1149 1150 PetscFunctionBegin; 1151 if (ns) *ns = 1; 1152 if (Y) *Y = th->endpoint ? &(th->X0) : &(th->X); 1153 PetscFunctionReturn(0); 1154 } 1155 1156 /* ------------------------------------------------------------ */ 1157 /*MC 1158 TSTHETA - DAE solver using the implicit Theta method 1159 1160 Level: beginner 1161 1162 Options Database: 1163 + -ts_theta_theta <Theta> - Location of stage (0<Theta<=1) 1164 . -ts_theta_endpoint <flag> - Use the endpoint (like Crank-Nicholson) instead of midpoint form of the Theta method 1165 - -ts_theta_initial_guess_extrapolate <flg> - Extrapolate stage initial guess from previous solution (sometimes unstable) 1166 1167 Notes: 1168 $ -ts_type theta -ts_theta_theta 1.0 corresponds to backward Euler (TSBEULER) 1169 $ -ts_type theta -ts_theta_theta 0.5 corresponds to the implicit midpoint rule 1170 $ -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint corresponds to Crank-Nicholson (TSCN) 1171 1172 This method can be applied to DAE. 1173 1174 This method is cast as a 1-stage implicit Runge-Kutta method. 1175 1176 .vb 1177 Theta | Theta 1178 ------------- 1179 | 1 1180 .ve 1181 1182 For the default Theta=0.5, this is also known as the implicit midpoint rule. 1183 1184 When the endpoint variant is chosen, the method becomes a 2-stage method with first stage explicit: 1185 1186 .vb 1187 0 | 0 0 1188 1 | 1-Theta Theta 1189 ------------------- 1190 | 1-Theta Theta 1191 .ve 1192 1193 For the default Theta=0.5, this is the trapezoid rule (also known as Crank-Nicolson, see TSCN). 1194 1195 To apply a diagonally implicit RK method to DAE, the stage formula 1196 1197 $ Y_i = X + h sum_j a_ij Y'_j 1198 1199 is interpreted as a formula for Y'_i in terms of Y_i and known values (Y'_j, j<i) 1200 1201 .seealso: TSCreate(), TS, TSSetType(), TSCN, TSBEULER, TSThetaSetTheta(), TSThetaSetEndpoint() 1202 1203 M*/ 1204 PETSC_EXTERN PetscErrorCode TSCreate_Theta(TS ts) 1205 { 1206 TS_Theta *th; 1207 PetscErrorCode ierr; 1208 1209 PetscFunctionBegin; 1210 ts->ops->reset = TSReset_Theta; 1211 ts->ops->adjointreset = TSAdjointReset_Theta; 1212 ts->ops->destroy = TSDestroy_Theta; 1213 ts->ops->view = TSView_Theta; 1214 ts->ops->setup = TSSetUp_Theta; 1215 ts->ops->adjointsetup = TSAdjointSetUp_Theta; 1216 ts->ops->adjointreset = TSAdjointReset_Theta; 1217 ts->ops->step = TSStep_Theta; 1218 ts->ops->interpolate = TSInterpolate_Theta; 1219 ts->ops->evaluatewlte = TSEvaluateWLTE_Theta; 1220 ts->ops->rollback = TSRollBack_Theta; 1221 ts->ops->setfromoptions = TSSetFromOptions_Theta; 1222 ts->ops->snesfunction = SNESTSFormFunction_Theta; 1223 ts->ops->snesjacobian = SNESTSFormJacobian_Theta; 1224 #if defined(PETSC_HAVE_COMPLEX) 1225 ts->ops->linearstability = TSComputeLinearStability_Theta; 1226 #endif 1227 ts->ops->getstages = TSGetStages_Theta; 1228 ts->ops->adjointstep = TSAdjointStep_Theta; 1229 ts->ops->adjointintegral = TSAdjointCostIntegral_Theta; 1230 ts->ops->forwardintegral = TSForwardCostIntegral_Theta; 1231 ts->default_adapt_type = TSADAPTNONE; 1232 1233 ts->ops->forwardsetup = TSForwardSetUp_Theta; 1234 ts->ops->forwardreset = TSForwardReset_Theta; 1235 ts->ops->forwardstep = TSForwardStep_Theta; 1236 ts->ops->forwardgetstages = TSForwardGetStages_Theta; 1237 1238 ts->usessnes = PETSC_TRUE; 1239 1240 ierr = PetscNewLog(ts,&th);CHKERRQ(ierr); 1241 ts->data = (void*)th; 1242 1243 th->VecsDeltaLam = NULL; 1244 th->VecsDeltaMu = NULL; 1245 th->VecsSensiTemp = NULL; 1246 th->VecsSensi2Temp = NULL; 1247 1248 th->extrapolate = PETSC_FALSE; 1249 th->Theta = 0.5; 1250 th->order = 2; 1251 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetTheta_C",TSThetaGetTheta_Theta);CHKERRQ(ierr); 1252 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetTheta_C",TSThetaSetTheta_Theta);CHKERRQ(ierr); 1253 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaGetEndpoint_C",TSThetaGetEndpoint_Theta);CHKERRQ(ierr); 1254 ierr = PetscObjectComposeFunction((PetscObject)ts,"TSThetaSetEndpoint_C",TSThetaSetEndpoint_Theta);CHKERRQ(ierr); 1255 PetscFunctionReturn(0); 1256 } 1257 1258 /*@ 1259 TSThetaGetTheta - Get the abscissa of the stage in (0,1]. 1260 1261 Not Collective 1262 1263 Input Parameter: 1264 . ts - timestepping context 1265 1266 Output Parameter: 1267 . theta - stage abscissa 1268 1269 Note: 1270 Use of this function is normally only required to hack TSTHETA to use a modified integration scheme. 1271 1272 Level: Advanced 1273 1274 .seealso: TSThetaSetTheta() 1275 @*/ 1276 PetscErrorCode TSThetaGetTheta(TS ts,PetscReal *theta) 1277 { 1278 PetscErrorCode ierr; 1279 1280 PetscFunctionBegin; 1281 PetscValidHeaderSpecific(ts,TS_CLASSID,1); 1282 PetscValidPointer(theta,2); 1283 ierr = PetscUseMethod(ts,"TSThetaGetTheta_C",(TS,PetscReal*),(ts,theta));CHKERRQ(ierr); 1284 PetscFunctionReturn(0); 1285 } 1286 1287 /*@ 1288 TSThetaSetTheta - Set the abscissa of the stage in (0,1]. 1289 1290 Not Collective 1291 1292 Input Parameter: 1293 + ts - timestepping context 1294 - theta - stage abscissa 1295 1296 Options Database: 1297 . -ts_theta_theta <theta> 1298 1299 Level: Intermediate 1300 1301 .seealso: TSThetaGetTheta() 1302 @*/ 1303 PetscErrorCode TSThetaSetTheta(TS ts,PetscReal theta) 1304 { 1305 PetscErrorCode ierr; 1306 1307 PetscFunctionBegin; 1308 PetscValidHeaderSpecific(ts,TS_CLASSID,1); 1309 ierr = PetscTryMethod(ts,"TSThetaSetTheta_C",(TS,PetscReal),(ts,theta));CHKERRQ(ierr); 1310 PetscFunctionReturn(0); 1311 } 1312 1313 /*@ 1314 TSThetaGetEndpoint - Gets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule). 1315 1316 Not Collective 1317 1318 Input Parameter: 1319 . ts - timestepping context 1320 1321 Output Parameter: 1322 . endpoint - PETSC_TRUE when using the endpoint variant 1323 1324 Level: Advanced 1325 1326 .seealso: TSThetaSetEndpoint(), TSTHETA, TSCN 1327 @*/ 1328 PetscErrorCode TSThetaGetEndpoint(TS ts,PetscBool *endpoint) 1329 { 1330 PetscErrorCode ierr; 1331 1332 PetscFunctionBegin; 1333 PetscValidHeaderSpecific(ts,TS_CLASSID,1); 1334 PetscValidPointer(endpoint,2); 1335 ierr = PetscUseMethod(ts,"TSThetaGetEndpoint_C",(TS,PetscBool*),(ts,endpoint));CHKERRQ(ierr); 1336 PetscFunctionReturn(0); 1337 } 1338 1339 /*@ 1340 TSThetaSetEndpoint - Sets whether to use the endpoint variant of the method (e.g. trapezoid/Crank-Nicolson instead of midpoint rule). 1341 1342 Not Collective 1343 1344 Input Parameter: 1345 + ts - timestepping context 1346 - flg - PETSC_TRUE to use the endpoint variant 1347 1348 Options Database: 1349 . -ts_theta_endpoint <flg> 1350 1351 Level: Intermediate 1352 1353 .seealso: TSTHETA, TSCN 1354 @*/ 1355 PetscErrorCode TSThetaSetEndpoint(TS ts,PetscBool flg) 1356 { 1357 PetscErrorCode ierr; 1358 1359 PetscFunctionBegin; 1360 PetscValidHeaderSpecific(ts,TS_CLASSID,1); 1361 ierr = PetscTryMethod(ts,"TSThetaSetEndpoint_C",(TS,PetscBool),(ts,flg));CHKERRQ(ierr); 1362 PetscFunctionReturn(0); 1363 } 1364 1365 /* 1366 * TSBEULER and TSCN are straightforward specializations of TSTHETA. 1367 * The creation functions for these specializations are below. 1368 */ 1369 1370 static PetscErrorCode TSSetUp_BEuler(TS ts) 1371 { 1372 TS_Theta *th = (TS_Theta*)ts->data; 1373 PetscErrorCode ierr; 1374 1375 PetscFunctionBegin; 1376 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"); 1377 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"); 1378 ierr = TSSetUp_Theta(ts);CHKERRQ(ierr); 1379 PetscFunctionReturn(0); 1380 } 1381 1382 static PetscErrorCode TSView_BEuler(TS ts,PetscViewer viewer) 1383 { 1384 PetscFunctionBegin; 1385 PetscFunctionReturn(0); 1386 } 1387 1388 /*MC 1389 TSBEULER - ODE solver using the implicit backward Euler method 1390 1391 Level: beginner 1392 1393 Notes: 1394 TSBEULER is equivalent to TSTHETA with Theta=1.0 1395 1396 $ -ts_type theta -ts_theta_theta 1.0 1397 1398 .seealso: TSCreate(), TS, TSSetType(), TSEULER, TSCN, TSTHETA 1399 1400 M*/ 1401 PETSC_EXTERN PetscErrorCode TSCreate_BEuler(TS ts) 1402 { 1403 PetscErrorCode ierr; 1404 1405 PetscFunctionBegin; 1406 ierr = TSCreate_Theta(ts);CHKERRQ(ierr); 1407 ierr = TSThetaSetTheta(ts,1.0);CHKERRQ(ierr); 1408 ierr = TSThetaSetEndpoint(ts,PETSC_FALSE);CHKERRQ(ierr); 1409 ts->ops->setup = TSSetUp_BEuler; 1410 ts->ops->view = TSView_BEuler; 1411 PetscFunctionReturn(0); 1412 } 1413 1414 static PetscErrorCode TSSetUp_CN(TS ts) 1415 { 1416 TS_Theta *th = (TS_Theta*)ts->data; 1417 PetscErrorCode ierr; 1418 1419 PetscFunctionBegin; 1420 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"); 1421 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"); 1422 ierr = TSSetUp_Theta(ts);CHKERRQ(ierr); 1423 PetscFunctionReturn(0); 1424 } 1425 1426 static PetscErrorCode TSView_CN(TS ts,PetscViewer viewer) 1427 { 1428 PetscFunctionBegin; 1429 PetscFunctionReturn(0); 1430 } 1431 1432 /*MC 1433 TSCN - ODE solver using the implicit Crank-Nicolson method. 1434 1435 Level: beginner 1436 1437 Notes: 1438 TSCN is equivalent to TSTHETA with Theta=0.5 and the "endpoint" option set. I.e. 1439 1440 $ -ts_type theta -ts_theta_theta 0.5 -ts_theta_endpoint 1441 1442 .seealso: TSCreate(), TS, TSSetType(), TSBEULER, TSTHETA 1443 1444 M*/ 1445 PETSC_EXTERN PetscErrorCode TSCreate_CN(TS ts) 1446 { 1447 PetscErrorCode ierr; 1448 1449 PetscFunctionBegin; 1450 ierr = TSCreate_Theta(ts);CHKERRQ(ierr); 1451 ierr = TSThetaSetTheta(ts,0.5);CHKERRQ(ierr); 1452 ierr = TSThetaSetEndpoint(ts,PETSC_TRUE);CHKERRQ(ierr); 1453 ts->ops->setup = TSSetUp_CN; 1454 ts->ops->view = TSView_CN; 1455 PetscFunctionReturn(0); 1456 } 1457