Actual source code: sundials.c

petsc-3.8.2 2017-11-09
Report Typos and Errors
  1: /*
  2:     Provides a PETSc interface to SUNDIALS/CVODE solver.
  3:     The interface to PVODE (old version of CVODE) was originally contributed
  4:     by Liyang Xu. It has been redone by Hong Zhang and Dinesh Kaushik.

  6:     Reference: sundials-2.4.0/examples/cvode/parallel/cvDiurnal_kry_p.c
  7: */
  8:  #include <../src/ts/impls/implicit/sundials/sundials.h>

 10: /*
 11:       TSPrecond_Sundials - function that we provide to SUNDIALS to
 12:                         evaluate the preconditioner.
 13: */
 14: PetscErrorCode TSPrecond_Sundials(realtype tn,N_Vector y,N_Vector fy,booleantype jok,booleantype *jcurPtr,
 15:                                   realtype _gamma,void *P_data,N_Vector vtemp1,N_Vector vtemp2,N_Vector vtemp3)
 16: {
 17:   TS             ts     = (TS) P_data;
 18:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
 19:   PC             pc;
 21:   Mat            J,P;
 22:   Vec            yy  = cvode->w1,yydot = cvode->ydot;
 23:   PetscReal      gm  = (PetscReal)_gamma;
 24:   PetscScalar    *y_data;

 27:   TSGetIJacobian(ts,&J,&P,NULL,NULL);
 28:   y_data = (PetscScalar*) N_VGetArrayPointer(y);
 29:   VecPlaceArray(yy,y_data);
 30:   VecZeroEntries(yydot); /* The Jacobian is independent of Ydot for ODE which is all that CVode works for */
 31:   /* compute the shifted Jacobian   (1/gm)*I + Jrest */
 32:   TSComputeIJacobian(ts,ts->ptime,yy,yydot,1/gm,J,P,PETSC_FALSE);
 33:   VecResetArray(yy);
 34:   MatScale(P,gm); /* turn into I-gm*Jrest, J is not used by Sundials  */
 35:   *jcurPtr = TRUE;
 36:   TSSundialsGetPC(ts,&pc);
 37:   PCSetOperators(pc,J,P);
 38:   return(0);
 39: }

 41: /*
 42:      TSPSolve_Sundials -  routine that we provide to Sundials that applies the preconditioner.
 43: */
 44: PetscErrorCode TSPSolve_Sundials(realtype tn,N_Vector y,N_Vector fy,N_Vector r,N_Vector z,
 45:                                  realtype _gamma,realtype delta,int lr,void *P_data,N_Vector vtemp)
 46: {
 47:   TS             ts     = (TS) P_data;
 48:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
 49:   PC             pc;
 50:   Vec            rr = cvode->w1,zz = cvode->w2;
 52:   PetscScalar    *r_data,*z_data;

 55:   /* Make the PETSc work vectors rr and zz point to the arrays in the SUNDIALS vectors r and z respectively*/
 56:   r_data = (PetscScalar*) N_VGetArrayPointer(r);
 57:   z_data = (PetscScalar*) N_VGetArrayPointer(z);
 58:   VecPlaceArray(rr,r_data);
 59:   VecPlaceArray(zz,z_data);

 61:   /* Solve the Px=r and put the result in zz */
 62:   TSSundialsGetPC(ts,&pc);
 63:   PCApply(pc,rr,zz);
 64:   VecResetArray(rr);
 65:   VecResetArray(zz);
 66:   return(0);
 67: }

 69: /*
 70:         TSFunction_Sundials - routine that we provide to Sundials that applies the right hand side.
 71: */
 72: int TSFunction_Sundials(realtype t,N_Vector y,N_Vector ydot,void *ctx)
 73: {
 74:   TS             ts = (TS) ctx;
 75:   DM             dm;
 76:   DMTS           tsdm;
 77:   TSIFunction    ifunction;
 78:   MPI_Comm       comm;
 79:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
 80:   Vec            yy     = cvode->w1,yyd = cvode->w2,yydot = cvode->ydot;
 81:   PetscScalar    *y_data,*ydot_data;

 85:   PetscObjectGetComm((PetscObject)ts,&comm);
 86:   /* Make the PETSc work vectors yy and yyd point to the arrays in the SUNDIALS vectors y and ydot respectively*/
 87:   y_data    = (PetscScalar*) N_VGetArrayPointer(y);
 88:   ydot_data = (PetscScalar*) N_VGetArrayPointer(ydot);
 89:   VecPlaceArray(yy,y_data);CHKERRABORT(comm,ierr);
 90:   VecPlaceArray(yyd,ydot_data);CHKERRABORT(comm,ierr);

 92:   /* Now compute the right hand side function, via IFunction unless only the more efficient RHSFunction is set */
 93:   TSGetDM(ts,&dm);
 94:   DMGetDMTS(dm,&tsdm);
 95:   DMTSGetIFunction(dm,&ifunction,NULL);
 96:   if (!ifunction) {
 97:     TSComputeRHSFunction(ts,t,yy,yyd);
 98:   } else {                      /* If rhsfunction is also set, this computes both parts and shifts them to the right */
 99:     VecZeroEntries(yydot);
100:     TSComputeIFunction(ts,t,yy,yydot,yyd,PETSC_FALSE);CHKERRABORT(comm,ierr);
101:     VecScale(yyd,-1.);
102:   }
103:   VecResetArray(yy);CHKERRABORT(comm,ierr);
104:   VecResetArray(yyd);CHKERRABORT(comm,ierr);
105:   return(0);
106: }

108: /*
109:        TSStep_Sundials - Calls Sundials to integrate the ODE.
110: */
111: PetscErrorCode TSStep_Sundials(TS ts)
112: {
113:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
115:   PetscInt       flag;
116:   long int       nits,lits,nsteps;
117:   realtype       t,tout;
118:   PetscScalar    *y_data;
119:   void           *mem;

122:   mem  = cvode->mem;
123:   tout = ts->max_time;
124:   VecGetArray(ts->vec_sol,&y_data);
125:   N_VSetArrayPointer((realtype*)y_data,cvode->y);
126:   VecRestoreArray(ts->vec_sol,NULL);

128:   /* We would like to TSPreStage() and TSPostStage()
129:    * before each stage solve but CVode does not appear to support this. */
130:   if (cvode->monitorstep)
131:     flag = CVode(mem,tout,cvode->y,&t,CV_ONE_STEP);
132:   else
133:     flag = CVode(mem,tout,cvode->y,&t,CV_NORMAL);

135:   if (flag) { /* display error message */
136:     switch (flag) {
137:       case CV_ILL_INPUT:
138:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ILL_INPUT");
139:         break;
140:       case CV_TOO_CLOSE:
141:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_CLOSE");
142:         break;
143:       case CV_TOO_MUCH_WORK: {
144:         PetscReal tcur;
145:         CVodeGetNumSteps(mem,&nsteps);
146:         CVodeGetCurrentTime(mem,&tcur);
147:         SETERRQ3(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_MUCH_WORK. At t=%g, nsteps %D exceeds maxstep %D. Increase '-ts_max_steps <>' or modify TSSetMaxSteps()",(double)tcur,nsteps,ts->max_steps);
148:       } break;
149:       case CV_TOO_MUCH_ACC:
150:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_MUCH_ACC");
151:         break;
152:       case CV_ERR_FAILURE:
153:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ERR_FAILURE");
154:         break;
155:       case CV_CONV_FAILURE:
156:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_CONV_FAILURE");
157:         break;
158:       case CV_LINIT_FAIL:
159:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LINIT_FAIL");
160:         break;
161:       case CV_LSETUP_FAIL:
162:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSETUP_FAIL");
163:         break;
164:       case CV_LSOLVE_FAIL:
165:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSOLVE_FAIL");
166:         break;
167:       case CV_RHSFUNC_FAIL:
168:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RHSFUNC_FAIL");
169:         break;
170:       case CV_FIRST_RHSFUNC_ERR:
171:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_FIRST_RHSFUNC_ERR");
172:         break;
173:       case CV_REPTD_RHSFUNC_ERR:
174:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_REPTD_RHSFUNC_ERR");
175:         break;
176:       case CV_UNREC_RHSFUNC_ERR:
177:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_UNREC_RHSFUNC_ERR");
178:         break;
179:       case CV_RTFUNC_FAIL:
180:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RTFUNC_FAIL");
181:         break;
182:       default:
183:         SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, flag %d",flag);
184:     }
185:   }

187:   /* log inner nonlinear and linear iterations */
188:   CVodeGetNumNonlinSolvIters(mem,&nits);
189:   CVSpilsGetNumLinIters(mem,&lits);
190:   ts->snes_its += nits; ts->ksp_its = lits;

192:   /* copy the solution from cvode->y to cvode->update and sol */
193:   VecPlaceArray(cvode->w1,y_data);
194:   VecCopy(cvode->w1,cvode->update);
195:   VecResetArray(cvode->w1);
196:   VecCopy(cvode->update,ts->vec_sol);

198:   ts->time_step = t - ts->ptime;
199:   ts->ptime = t;

201:   CVodeGetNumSteps(mem,&nsteps);
202:   if (!cvode->monitorstep) ts->steps += nsteps - 1; /* TSStep() increments the step counter by one */
203:   return(0);
204: }

206: static PetscErrorCode TSInterpolate_Sundials(TS ts,PetscReal t,Vec X)
207: {
208:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
209:   N_Vector       y;
211:   PetscScalar    *x_data;
212:   PetscInt       glosize,locsize;

215:   /* get the vector size */
216:   VecGetSize(X,&glosize);
217:   VecGetLocalSize(X,&locsize);

219:   /* allocate the memory for N_Vec y */
220:   y = N_VNew_Parallel(cvode->comm_sundials,locsize,glosize);
221:   if (!y) SETERRQ(PETSC_COMM_SELF,1,"Interpolated y is not allocated");

223:   VecGetArray(X,&x_data);
224:   N_VSetArrayPointer((realtype*)x_data,y);
225:   CVodeGetDky(cvode->mem,t,0,y);
226:   VecRestoreArray(X,&x_data);
227:   return(0);
228: }

230: PetscErrorCode TSReset_Sundials(TS ts)
231: {
232:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;

236:   VecDestroy(&cvode->update);
237:   VecDestroy(&cvode->ydot);
238:   VecDestroy(&cvode->w1);
239:   VecDestroy(&cvode->w2);
240:   if (cvode->mem) CVodeFree(&cvode->mem);
241:   return(0);
242: }

244: PetscErrorCode TSDestroy_Sundials(TS ts)
245: {
246:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;

250:   TSReset_Sundials(ts);
251:   MPI_Comm_free(&(cvode->comm_sundials));
252:   PetscFree(ts->data);
253:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetType_C",NULL);
254:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxl_C",NULL);
255:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetLinearTolerance_C",NULL);
256:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetGramSchmidtType_C",NULL);
257:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetTolerance_C",NULL);
258:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMinTimeStep_C",NULL);
259:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxTimeStep_C",NULL);
260:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetPC_C",NULL);
261:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetIterations_C",NULL);
262:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsMonitorInternalSteps_C",NULL);
263:   return(0);
264: }

266: PetscErrorCode TSSetUp_Sundials(TS ts)
267: {
268:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
270:   PetscInt       glosize,locsize,i,flag;
271:   PetscScalar    *y_data,*parray;
272:   void           *mem;
273:   PC             pc;
274:   PCType         pctype;
275:   PetscBool      pcnone;

278:   if (ts->exact_final_time == TS_EXACTFINALTIME_MATCHSTEP) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_SUP,"No support for exact final time option 'MATCHSTEP' when using Sundials");

280:   /* get the vector size */
281:   VecGetSize(ts->vec_sol,&glosize);
282:   VecGetLocalSize(ts->vec_sol,&locsize);

284:   /* allocate the memory for N_Vec y */
285:   cvode->y = N_VNew_Parallel(cvode->comm_sundials,locsize,glosize);
286:   if (!cvode->y) SETERRQ(PETSC_COMM_SELF,1,"cvode->y is not allocated");

288:   /* initialize N_Vec y: copy ts->vec_sol to cvode->y */
289:   VecGetArray(ts->vec_sol,&parray);
290:   y_data = (PetscScalar*) N_VGetArrayPointer(cvode->y);
291:   for (i = 0; i < locsize; i++) y_data[i] = parray[i];
292:   VecRestoreArray(ts->vec_sol,NULL);

294:   VecDuplicate(ts->vec_sol,&cvode->update);
295:   VecDuplicate(ts->vec_sol,&cvode->ydot);
296:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->update);
297:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->ydot);

299:   /*
300:     Create work vectors for the TSPSolve_Sundials() routine. Note these are
301:     allocated with zero space arrays because the actual array space is provided
302:     by Sundials and set using VecPlaceArray().
303:   */
304:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w1);
305:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w2);
306:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->w1);
307:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->w2);

309:   /* Call CVodeCreate to create the solver memory and the use of a Newton iteration */
310:   mem = CVodeCreate(cvode->cvode_type, CV_NEWTON);
311:   if (!mem) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_MEM,"CVodeCreate() fails");
312:   cvode->mem = mem;

314:   /* Set the pointer to user-defined data */
315:   flag = CVodeSetUserData(mem, ts);
316:   if (flag) SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVodeSetUserData() fails");

318:   /* Sundials may choose to use a smaller initial step, but will never use a larger step. */
319:   flag = CVodeSetInitStep(mem,(realtype)ts->time_step);
320:   if (flag) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetInitStep() failed");
321:   if (cvode->mindt > 0) {
322:     flag = CVodeSetMinStep(mem,(realtype)cvode->mindt);
323:     if (flag) {
324:       if (flag == CV_MEM_NULL) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMinStep() failed, cvode_mem pointer is NULL");
325:       else if (flag == CV_ILL_INPUT) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMinStep() failed, hmin is nonpositive or it exceeds the maximum allowable step size");
326:       else SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMinStep() failed");
327:     }
328:   }
329:   if (cvode->maxdt > 0) {
330:     flag = CVodeSetMaxStep(mem,(realtype)cvode->maxdt);
331:     if (flag) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMaxStep() failed");
332:   }

334:   /* Call CVodeInit to initialize the integrator memory and specify the
335:    * user's right hand side function in u'=f(t,u), the inital time T0, and
336:    * the initial dependent variable vector cvode->y */
337:   flag = CVodeInit(mem,TSFunction_Sundials,ts->ptime,cvode->y);
338:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVodeInit() fails, flag %d",flag);

340:   /* specifies scalar relative and absolute tolerances */
341:   flag = CVodeSStolerances(mem,cvode->reltol,cvode->abstol);
342:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVodeSStolerances() fails, flag %d",flag);

344:   /* Specify max num of steps to be taken by cvode in its attempt to reach the next output time */
345:   flag = CVodeSetMaxNumSteps(mem,ts->max_steps);
346:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVodeSetMaxNumSteps() fails, flag %d",flag);

348:   /* call CVSpgmr to use GMRES as the linear solver.        */
349:   /* setup the ode integrator with the given preconditioner */
350:   TSSundialsGetPC(ts,&pc);
351:   PCGetType(pc,&pctype);
352:   PetscObjectTypeCompare((PetscObject)pc,PCNONE,&pcnone);
353:   if (pcnone) {
354:     flag = CVSpgmr(mem,PREC_NONE,0);
355:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmr() fails, flag %d",flag);
356:   } else {
357:     flag = CVSpgmr(mem,PREC_LEFT,cvode->maxl);
358:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmr() fails, flag %d",flag);

360:     /* Set preconditioner and solve routines Precond and PSolve,
361:      and the pointer to the user-defined block data */
362:     flag = CVSpilsSetPreconditioner(mem,TSPrecond_Sundials,TSPSolve_Sundials);
363:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpilsSetPreconditioner() fails, flag %d", flag);
364:   }

366:   flag = CVSpilsSetGSType(mem, MODIFIED_GS);
367:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmrSetGSType() fails, flag %d",flag);
368:   return(0);
369: }

371: /* type of CVODE linear multistep method */
372: const char *const TSSundialsLmmTypes[] = {"","ADAMS","BDF","TSSundialsLmmType","SUNDIALS_",0};
373: /* type of G-S orthogonalization used by CVODE linear solver */
374: const char *const TSSundialsGramSchmidtTypes[] = {"","MODIFIED","CLASSICAL","TSSundialsGramSchmidtType","SUNDIALS_",0};

376: PetscErrorCode TSSetFromOptions_Sundials(PetscOptionItems *PetscOptionsObject,TS ts)
377: {
378:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
380:   int            indx;
381:   PetscBool      flag;
382:   PC             pc;

385:   PetscOptionsHead(PetscOptionsObject,"SUNDIALS ODE solver options");
386:   PetscOptionsEList("-ts_sundials_type","Scheme","TSSundialsSetType",TSSundialsLmmTypes,3,TSSundialsLmmTypes[cvode->cvode_type],&indx,&flag);
387:   if (flag) {
388:     TSSundialsSetType(ts,(TSSundialsLmmType)indx);
389:   }
390:   PetscOptionsEList("-ts_sundials_gramschmidt_type","Type of orthogonalization","TSSundialsSetGramSchmidtType",TSSundialsGramSchmidtTypes,3,TSSundialsGramSchmidtTypes[cvode->gtype],&indx,&flag);
391:   if (flag) {
392:     TSSundialsSetGramSchmidtType(ts,(TSSundialsGramSchmidtType)indx);
393:   }
394:   PetscOptionsReal("-ts_sundials_atol","Absolute tolerance for convergence","TSSundialsSetTolerance",cvode->abstol,&cvode->abstol,NULL);
395:   PetscOptionsReal("-ts_sundials_rtol","Relative tolerance for convergence","TSSundialsSetTolerance",cvode->reltol,&cvode->reltol,NULL);
396:   PetscOptionsReal("-ts_sundials_mindt","Minimum step size","TSSundialsSetMinTimeStep",cvode->mindt,&cvode->mindt,NULL);
397:   PetscOptionsReal("-ts_sundials_maxdt","Maximum step size","TSSundialsSetMaxTimeStep",cvode->maxdt,&cvode->maxdt,NULL);
398:   PetscOptionsReal("-ts_sundials_linear_tolerance","Convergence tolerance for linear solve","TSSundialsSetLinearTolerance",cvode->linear_tol,&cvode->linear_tol,NULL);
399:   PetscOptionsInt("-ts_sundials_maxl","Max dimension of the Krylov subspace","TSSundialsSetMaxl",cvode->maxl,&cvode->maxl,NULL);
400:   PetscOptionsBool("-ts_sundials_monitor_steps","Monitor SUNDIALS internal steps","TSSundialsMonitorInternalSteps",cvode->monitorstep,&cvode->monitorstep,NULL);
401:   PetscOptionsTail();
402:   TSSundialsGetPC(ts,&pc);
403:   PCSetFromOptions(pc);
404:   return(0);
405: }

407: PetscErrorCode TSView_Sundials(TS ts,PetscViewer viewer)
408: {
409:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
411:   char           *type;
412:   char           atype[] = "Adams";
413:   char           btype[] = "BDF: backward differentiation formula";
414:   PetscBool      iascii,isstring;
415:   long int       nsteps,its,nfevals,nlinsetups,nfails,itmp;
416:   PetscInt       qlast,qcur;
417:   PetscReal      hinused,hlast,hcur,tcur,tolsfac;
418:   PC             pc;

421:   if (cvode->cvode_type == SUNDIALS_ADAMS) type = atype;
422:   else                                     type = btype;

424:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&iascii);
425:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERSTRING,&isstring);
426:   if (iascii) {
427:     PetscViewerASCIIPrintf(viewer,"Sundials integrater does not use SNES!\n");
428:     PetscViewerASCIIPrintf(viewer,"Sundials integrater type %s\n",type);
429:     PetscViewerASCIIPrintf(viewer,"Sundials abs tol %g rel tol %g\n",cvode->abstol,cvode->reltol);
430:     PetscViewerASCIIPrintf(viewer,"Sundials linear solver tolerance factor %g\n",cvode->linear_tol);
431:     PetscViewerASCIIPrintf(viewer,"Sundials max dimension of Krylov subspace %D\n",cvode->maxl);
432:     if (cvode->gtype == SUNDIALS_MODIFIED_GS) {
433:       PetscViewerASCIIPrintf(viewer,"Sundials using modified Gram-Schmidt for orthogonalization in GMRES\n");
434:     } else {
435:       PetscViewerASCIIPrintf(viewer,"Sundials using unmodified (classical) Gram-Schmidt for orthogonalization in GMRES\n");
436:     }
437:     if (cvode->mindt > 0) {PetscViewerASCIIPrintf(viewer,"Sundials minimum time step %g\n",cvode->mindt);}
438:     if (cvode->maxdt > 0) {PetscViewerASCIIPrintf(viewer,"Sundials maximum time step %g\n",cvode->maxdt);}

440:     /* Outputs from CVODE, CVSPILS */
441:     CVodeGetTolScaleFactor(cvode->mem,&tolsfac);
442:     PetscViewerASCIIPrintf(viewer,"Sundials suggested factor for tolerance scaling %g\n",tolsfac);
443:     CVodeGetIntegratorStats(cvode->mem,&nsteps,&nfevals,
444:                                    &nlinsetups,&nfails,&qlast,&qcur,
445:                                    &hinused,&hlast,&hcur,&tcur);
446:     PetscViewerASCIIPrintf(viewer,"Sundials cumulative number of internal steps %D\n",nsteps);
447:     PetscViewerASCIIPrintf(viewer,"Sundials no. of calls to rhs function %D\n",nfevals);
448:     PetscViewerASCIIPrintf(viewer,"Sundials no. of calls to linear solver setup function %D\n",nlinsetups);
449:     PetscViewerASCIIPrintf(viewer,"Sundials no. of error test failures %D\n",nfails);

451:     CVodeGetNonlinSolvStats(cvode->mem,&its,&nfails);
452:     PetscViewerASCIIPrintf(viewer,"Sundials no. of nonlinear solver iterations %D\n",its);
453:     PetscViewerASCIIPrintf(viewer,"Sundials no. of nonlinear convergence failure %D\n",nfails);

455:     CVSpilsGetNumLinIters(cvode->mem, &its); /* its = no. of calls to TSPrecond_Sundials() */
456:     PetscViewerASCIIPrintf(viewer,"Sundials no. of linear iterations %D\n",its);
457:     CVSpilsGetNumConvFails(cvode->mem,&itmp);
458:     PetscViewerASCIIPrintf(viewer,"Sundials no. of linear convergence failures %D\n",itmp);

460:     TSSundialsGetPC(ts,&pc);
461:     PCView(pc,viewer);
462:     CVSpilsGetNumPrecEvals(cvode->mem,&itmp);
463:     PetscViewerASCIIPrintf(viewer,"Sundials no. of preconditioner evaluations %D\n",itmp);
464:     CVSpilsGetNumPrecSolves(cvode->mem,&itmp);
465:     PetscViewerASCIIPrintf(viewer,"Sundials no. of preconditioner solves %D\n",itmp);

467:     CVSpilsGetNumJtimesEvals(cvode->mem,&itmp);
468:     PetscViewerASCIIPrintf(viewer,"Sundials no. of Jacobian-vector product evaluations %D\n",itmp);
469:     CVSpilsGetNumRhsEvals(cvode->mem,&itmp);
470:     PetscViewerASCIIPrintf(viewer,"Sundials no. of rhs calls for finite diff. Jacobian-vector evals %D\n",itmp);
471:   } else if (isstring) {
472:     PetscViewerStringSPrintf(viewer,"Sundials type %s",type);
473:   }
474:   return(0);
475: }


478: /* --------------------------------------------------------------------------*/
479: PetscErrorCode  TSSundialsSetType_Sundials(TS ts,TSSundialsLmmType type)
480: {
481:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

484:   cvode->cvode_type = type;
485:   return(0);
486: }

488: PetscErrorCode  TSSundialsSetMaxl_Sundials(TS ts,PetscInt maxl)
489: {
490:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

493:   cvode->maxl = maxl;
494:   return(0);
495: }

497: PetscErrorCode  TSSundialsSetLinearTolerance_Sundials(TS ts,double tol)
498: {
499:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

502:   cvode->linear_tol = tol;
503:   return(0);
504: }

506: PetscErrorCode  TSSundialsSetGramSchmidtType_Sundials(TS ts,TSSundialsGramSchmidtType type)
507: {
508:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

511:   cvode->gtype = type;
512:   return(0);
513: }

515: PetscErrorCode  TSSundialsSetTolerance_Sundials(TS ts,double aabs,double rel)
516: {
517:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

520:   if (aabs != PETSC_DECIDE) cvode->abstol = aabs;
521:   if (rel != PETSC_DECIDE)  cvode->reltol = rel;
522:   return(0);
523: }

525: PetscErrorCode  TSSundialsSetMinTimeStep_Sundials(TS ts,PetscReal mindt)
526: {
527:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

530:   cvode->mindt = mindt;
531:   return(0);
532: }

534: PetscErrorCode  TSSundialsSetMaxTimeStep_Sundials(TS ts,PetscReal maxdt)
535: {
536:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

539:   cvode->maxdt = maxdt;
540:   return(0);
541: }
542: PetscErrorCode  TSSundialsGetPC_Sundials(TS ts,PC *pc)
543: {
544:   SNES           snes;
545:   KSP            ksp;

549:   TSGetSNES(ts,&snes);
550:   SNESGetKSP(snes,&ksp);
551:   KSPGetPC(ksp,pc);
552:   return(0);
553: }

555: PetscErrorCode  TSSundialsGetIterations_Sundials(TS ts,int *nonlin,int *lin)
556: {
558:   if (nonlin) *nonlin = ts->snes_its;
559:   if (lin)    *lin    = ts->ksp_its;
560:   return(0);
561: }

563: PetscErrorCode  TSSundialsMonitorInternalSteps_Sundials(TS ts,PetscBool s)
564: {
565:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

568:   cvode->monitorstep = s;
569:   return(0);
570: }
571: /* -------------------------------------------------------------------------------------------*/

573: /*@C
574:    TSSundialsGetIterations - Gets the number of nonlinear and linear iterations used so far by Sundials.

576:    Not Collective

578:    Input parameters:
579: .    ts     - the time-step context

581:    Output Parameters:
582: +   nonlin - number of nonlinear iterations
583: -   lin    - number of linear iterations

585:    Level: advanced

587:    Notes:
588:     These return the number since the creation of the TS object

590: .keywords: non-linear iterations, linear iterations

592: .seealso: TSSundialsSetType(), TSSundialsSetMaxl(),
593:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
594:           TSSundialsGetIterations(), TSSundialsSetType(),
595:           TSSundialsSetLinearTolerance(), TSSundialsGetPC(), TSSetExactFinalTime()

597: @*/
598: PetscErrorCode  TSSundialsGetIterations(TS ts,int *nonlin,int *lin)
599: {

603:   PetscUseMethod(ts,"TSSundialsGetIterations_C",(TS,int*,int*),(ts,nonlin,lin));
604:   return(0);
605: }

607: /*@
608:    TSSundialsSetType - Sets the method that Sundials will use for integration.

610:    Logically Collective on TS

612:    Input parameters:
613: +    ts     - the time-step context
614: -    type   - one of  SUNDIALS_ADAMS or SUNDIALS_BDF

616:    Level: intermediate

618: .keywords: Adams, backward differentiation formula

620: .seealso: TSSundialsGetIterations(),  TSSundialsSetMaxl(),
621:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
622:           TSSundialsGetIterations(), TSSundialsSetType(),
623:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
624:           TSSetExactFinalTime()
625: @*/
626: PetscErrorCode  TSSundialsSetType(TS ts,TSSundialsLmmType type)
627: {

631:   PetscTryMethod(ts,"TSSundialsSetType_C",(TS,TSSundialsLmmType),(ts,type));
632:   return(0);
633: }

635: /*@
636:    TSSundialsSetMaxl - Sets the dimension of the Krylov space used by
637:        GMRES in the linear solver in SUNDIALS. SUNDIALS DOES NOT use restarted GMRES so
638:        this is the maximum number of GMRES steps that will be used.

640:    Logically Collective on TS

642:    Input parameters:
643: +    ts      - the time-step context
644: -    maxl - number of direction vectors (the dimension of Krylov subspace).

646:    Level: advanced

648: .keywords: GMRES

650: .seealso: TSSundialsGetIterations(), TSSundialsSetType(),
651:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
652:           TSSundialsGetIterations(), TSSundialsSetType(),
653:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
654:           TSSetExactFinalTime()

656: @*/
657: PetscErrorCode  TSSundialsSetMaxl(TS ts,PetscInt maxl)
658: {

663:   PetscTryMethod(ts,"TSSundialsSetMaxl_C",(TS,PetscInt),(ts,maxl));
664:   return(0);
665: }

667: /*@
668:    TSSundialsSetLinearTolerance - Sets the tolerance used to solve the linear
669:        system by SUNDIALS.

671:    Logically Collective on TS

673:    Input parameters:
674: +    ts     - the time-step context
675: -    tol    - the factor by which the tolerance on the nonlinear solver is
676:              multiplied to get the tolerance on the linear solver, .05 by default.

678:    Level: advanced

680: .keywords: GMRES, linear convergence tolerance, SUNDIALS

682: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
683:           TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
684:           TSSundialsGetIterations(), TSSundialsSetType(),
685:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
686:           TSSetExactFinalTime()

688: @*/
689: PetscErrorCode  TSSundialsSetLinearTolerance(TS ts,double tol)
690: {

695:   PetscTryMethod(ts,"TSSundialsSetLinearTolerance_C",(TS,double),(ts,tol));
696:   return(0);
697: }

699: /*@
700:    TSSundialsSetGramSchmidtType - Sets type of orthogonalization used
701:         in GMRES method by SUNDIALS linear solver.

703:    Logically Collective on TS

705:    Input parameters:
706: +    ts  - the time-step context
707: -    type - either SUNDIALS_MODIFIED_GS or SUNDIALS_CLASSICAL_GS

709:    Level: advanced

711: .keywords: Sundials, orthogonalization

713: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
714:           TSSundialsSetLinearTolerance(),  TSSundialsSetTolerance(),
715:           TSSundialsGetIterations(), TSSundialsSetType(),
716:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
717:           TSSetExactFinalTime()

719: @*/
720: PetscErrorCode  TSSundialsSetGramSchmidtType(TS ts,TSSundialsGramSchmidtType type)
721: {

725:   PetscTryMethod(ts,"TSSundialsSetGramSchmidtType_C",(TS,TSSundialsGramSchmidtType),(ts,type));
726:   return(0);
727: }

729: /*@
730:    TSSundialsSetTolerance - Sets the absolute and relative tolerance used by
731:                          Sundials for error control.

733:    Logically Collective on TS

735:    Input parameters:
736: +    ts  - the time-step context
737: .    aabs - the absolute tolerance
738: -    rel - the relative tolerance

740:      See the Cvode/Sundials users manual for exact details on these parameters. Essentially
741:     these regulate the size of the error for a SINGLE timestep.

743:    Level: intermediate

745: .keywords: Sundials, tolerance

747: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetGMRESMaxl(),
748:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(),
749:           TSSundialsGetIterations(), TSSundialsSetType(),
750:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
751:           TSSetExactFinalTime()

753: @*/
754: PetscErrorCode  TSSundialsSetTolerance(TS ts,double aabs,double rel)
755: {

759:   PetscTryMethod(ts,"TSSundialsSetTolerance_C",(TS,double,double),(ts,aabs,rel));
760:   return(0);
761: }

763: /*@
764:    TSSundialsGetPC - Extract the PC context from a time-step context for Sundials.

766:    Input Parameter:
767: .    ts - the time-step context

769:    Output Parameter:
770: .    pc - the preconditioner context

772:    Level: advanced

774: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
775:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
776:           TSSundialsGetIterations(), TSSundialsSetType(),
777:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance()
778: @*/
779: PetscErrorCode  TSSundialsGetPC(TS ts,PC *pc)
780: {

784:   PetscUseMethod(ts,"TSSundialsGetPC_C",(TS,PC*),(ts,pc));
785:   return(0);
786: }

788: /*@
789:    TSSundialsSetMinTimeStep - Smallest time step to be chosen by the adaptive controller.

791:    Input Parameter:
792: +   ts - the time-step context
793: -   mindt - lowest time step if positive, negative to deactivate

795:    Note:
796:    Sundials will error if it is not possible to keep the estimated truncation error below
797:    the tolerance set with TSSundialsSetTolerance() without going below this step size.

799:    Level: beginner

801: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
802: @*/
803: PetscErrorCode  TSSundialsSetMinTimeStep(TS ts,PetscReal mindt)
804: {

808:   PetscTryMethod(ts,"TSSundialsSetMinTimeStep_C",(TS,PetscReal),(ts,mindt));
809:   return(0);
810: }

812: /*@
813:    TSSundialsSetMaxTimeStep - Largest time step to be chosen by the adaptive controller.

815:    Input Parameter:
816: +   ts - the time-step context
817: -   maxdt - lowest time step if positive, negative to deactivate

819:    Level: beginner

821: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
822: @*/
823: PetscErrorCode  TSSundialsSetMaxTimeStep(TS ts,PetscReal maxdt)
824: {

828:   PetscTryMethod(ts,"TSSundialsSetMaxTimeStep_C",(TS,PetscReal),(ts,maxdt));
829:   return(0);
830: }

832: /*@
833:    TSSundialsMonitorInternalSteps - Monitor Sundials internal steps (Defaults to false).

835:    Input Parameter:
836: +   ts - the time-step context
837: -   ft - PETSC_TRUE if monitor, else PETSC_FALSE

839:    Level: beginner

841: .seealso:TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
842:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
843:           TSSundialsGetIterations(), TSSundialsSetType(),
844:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC()
845: @*/
846: PetscErrorCode  TSSundialsMonitorInternalSteps(TS ts,PetscBool ft)
847: {

851:   PetscTryMethod(ts,"TSSundialsMonitorInternalSteps_C",(TS,PetscBool),(ts,ft));
852:   return(0);
853: }
854: /* -------------------------------------------------------------------------------------------*/
855: /*MC
856:       TSSUNDIALS - ODE solver using the LLNL CVODE/SUNDIALS package (now called SUNDIALS)

858:    Options Database:
859: +    -ts_sundials_type <bdf,adams> -
860: .    -ts_sundials_gramschmidt_type <modified, classical> - type of orthogonalization inside GMRES
861: .    -ts_sundials_atol <tol> - Absolute tolerance for convergence
862: .    -ts_sundials_rtol <tol> - Relative tolerance for convergence
863: .    -ts_sundials_linear_tolerance <tol> - 
864: .    -ts_sundials_maxl <maxl> - Max dimension of the Krylov subspace
865: -    -ts_sundials_monitor_steps - Monitor SUNDIALS internal steps


868:     Notes: This uses its own nonlinear solver and Krylov method so PETSc SNES and KSP options do not apply,
869:            only PETSc PC options.

871:     Level: beginner

873: .seealso:  TSCreate(), TS, TSSetType(), TSSundialsSetType(), TSSundialsSetMaxl(), TSSundialsSetLinearTolerance(),
874:            TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(), TSSundialsGetPC(), TSSundialsGetIterations(), TSSetExactFinalTime()

876: M*/
877: PETSC_EXTERN PetscErrorCode TSCreate_Sundials(TS ts)
878: {
879:   TS_Sundials    *cvode;
881:   PC             pc;

884:   ts->ops->reset          = TSReset_Sundials;
885:   ts->ops->destroy        = TSDestroy_Sundials;
886:   ts->ops->view           = TSView_Sundials;
887:   ts->ops->setup          = TSSetUp_Sundials;
888:   ts->ops->step           = TSStep_Sundials;
889:   ts->ops->interpolate    = TSInterpolate_Sundials;
890:   ts->ops->setfromoptions = TSSetFromOptions_Sundials;
891:   ts->default_adapt_type  = TSADAPTNONE;

893:   PetscNewLog(ts,&cvode);

895:   ts->usessnes = PETSC_TRUE;

897:   ts->data           = (void*)cvode;
898:   cvode->cvode_type  = SUNDIALS_BDF;
899:   cvode->gtype       = SUNDIALS_CLASSICAL_GS;
900:   cvode->maxl        = 5;
901:   cvode->linear_tol  = .05;
902:   cvode->monitorstep = PETSC_TRUE;

904:   MPI_Comm_dup(PetscObjectComm((PetscObject)ts),&(cvode->comm_sundials));

906:   cvode->mindt = -1.;
907:   cvode->maxdt = -1.;

909:   /* set tolerance for Sundials */
910:   cvode->reltol = 1e-6;
911:   cvode->abstol = 1e-6;

913:   /* set PCNONE as default pctype */
914:   TSSundialsGetPC_Sundials(ts,&pc);
915:   PCSetType(pc,PCNONE);

917:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetType_C",TSSundialsSetType_Sundials);
918:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxl_C",TSSundialsSetMaxl_Sundials);
919:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetLinearTolerance_C",TSSundialsSetLinearTolerance_Sundials);
920:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetGramSchmidtType_C",TSSundialsSetGramSchmidtType_Sundials);
921:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetTolerance_C",TSSundialsSetTolerance_Sundials);
922:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMinTimeStep_C",TSSundialsSetMinTimeStep_Sundials);
923:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxTimeStep_C",TSSundialsSetMaxTimeStep_Sundials);
924:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetPC_C",TSSundialsGetPC_Sundials);
925:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetIterations_C",TSSundialsGetIterations_Sundials);
926:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsMonitorInternalSteps_C",TSSundialsMonitorInternalSteps_Sundials);
927:   return(0);
928: }