Actual source code: sundials.c

petsc-3.7.4 2016-10-02
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  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>  /*I "petscts.h" I*/

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

 29:   TSGetIJacobian(ts,&J,&P,NULL,NULL);
 30:   y_data = (PetscScalar*) N_VGetArrayPointer(y);
 31:   VecPlaceArray(yy,y_data);
 32:   VecZeroEntries(yydot); /* The Jacobian is independent of Ydot for ODE which is all that CVode works for */
 33:   /* compute the shifted Jacobian   (1/gm)*I + Jrest */
 34:   TSComputeIJacobian(ts,ts->ptime,yy,yydot,1/gm,J,P,PETSC_FALSE);
 35:   VecResetArray(yy);
 36:   MatScale(P,gm); /* turn into I-gm*Jrest, J is not used by Sundials  */
 37:   *jcurPtr = TRUE;
 38:   TSSundialsGetPC(ts,&pc);
 39:   PCSetOperators(pc,J,P);
 40:   return(0);
 41: }

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

 59:   /* Make the PETSc work vectors rr and zz point to the arrays in the SUNDIALS vectors r and z respectively*/
 60:   r_data = (PetscScalar*) N_VGetArrayPointer(r);
 61:   z_data = (PetscScalar*) N_VGetArrayPointer(z);
 62:   VecPlaceArray(rr,r_data);
 63:   VecPlaceArray(zz,z_data);

 65:   /* Solve the Px=r and put the result in zz */
 66:   TSSundialsGetPC(ts,&pc);
 67:   PCApply(pc,rr,zz);
 68:   VecResetArray(rr);
 69:   VecResetArray(zz);
 70:   return(0);
 71: }

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

 91:   PetscObjectGetComm((PetscObject)ts,&comm);
 92:   /* Make the PETSc work vectors yy and yyd point to the arrays in the SUNDIALS vectors y and ydot respectively*/
 93:   y_data    = (PetscScalar*) N_VGetArrayPointer(y);
 94:   ydot_data = (PetscScalar*) N_VGetArrayPointer(ydot);
 95:   VecPlaceArray(yy,y_data);CHKERRABORT(comm,ierr);
 96:   VecPlaceArray(yyd,ydot_data);CHKERRABORT(comm,ierr);

 98:   /* Now compute the right hand side function, via IFunction unless only the more efficient RHSFunction is set */
 99:   TSGetDM(ts,&dm);
100:   DMGetDMTS(dm,&tsdm);
101:   DMTSGetIFunction(dm,&ifunction,NULL);
102:   if (!ifunction) {
103:     TSComputeRHSFunction(ts,t,yy,yyd);
104:   } else {                      /* If rhsfunction is also set, this computes both parts and shifts them to the right */
105:     VecZeroEntries(yydot);
106:     TSComputeIFunction(ts,t,yy,yydot,yyd,PETSC_FALSE);CHKERRABORT(comm,ierr);
107:     VecScale(yyd,-1.);
108:   }
109:   VecResetArray(yy);CHKERRABORT(comm,ierr);
110:   VecResetArray(yyd);CHKERRABORT(comm,ierr);
111:   return(0);
112: }

114: /*
115:        TSStep_Sundials - Calls Sundials to integrate the ODE.
116: */
119: PetscErrorCode TSStep_Sundials(TS ts)
120: {
121:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
123:   PetscInt       flag;
124:   long int       nits,lits,nsteps;
125:   realtype       t,tout;
126:   PetscScalar    *y_data;
127:   void           *mem;

130:   mem  = cvode->mem;
131:   tout = ts->max_time;
132:   VecGetArray(ts->vec_sol,&y_data);
133:   N_VSetArrayPointer((realtype*)y_data,cvode->y);
134:   VecRestoreArray(ts->vec_sol,NULL);

136:   /* We would like to TSPreStage() and TSPostStage()
137:    * before each stage solve but CVode does not appear to support this. */
138:   if (cvode->monitorstep)
139:     flag = CVode(mem,tout,cvode->y,&t,CV_ONE_STEP);
140:   else
141:     flag = CVode(mem,tout,cvode->y,&t,CV_NORMAL);

143:   if (flag) { /* display error message */
144:     switch (flag) {
145:       case CV_ILL_INPUT:
146:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ILL_INPUT");
147:         break;
148:       case CV_TOO_CLOSE:
149:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_CLOSE");
150:         break;
151:       case CV_TOO_MUCH_WORK: {
152:         PetscReal tcur;
153:         CVodeGetNumSteps(mem,&nsteps);
154:         CVodeGetCurrentTime(mem,&tcur);
155:         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 TSSetDuration()",(double)tcur,nsteps,ts->max_steps);
156:       } break;
157:       case CV_TOO_MUCH_ACC:
158:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_MUCH_ACC");
159:         break;
160:       case CV_ERR_FAILURE:
161:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ERR_FAILURE");
162:         break;
163:       case CV_CONV_FAILURE:
164:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_CONV_FAILURE");
165:         break;
166:       case CV_LINIT_FAIL:
167:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LINIT_FAIL");
168:         break;
169:       case CV_LSETUP_FAIL:
170:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSETUP_FAIL");
171:         break;
172:       case CV_LSOLVE_FAIL:
173:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSOLVE_FAIL");
174:         break;
175:       case CV_RHSFUNC_FAIL:
176:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RHSFUNC_FAIL");
177:         break;
178:       case CV_FIRST_RHSFUNC_ERR:
179:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_FIRST_RHSFUNC_ERR");
180:         break;
181:       case CV_REPTD_RHSFUNC_ERR:
182:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_REPTD_RHSFUNC_ERR");
183:         break;
184:       case CV_UNREC_RHSFUNC_ERR:
185:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_UNREC_RHSFUNC_ERR");
186:         break;
187:       case CV_RTFUNC_FAIL:
188:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RTFUNC_FAIL");
189:         break;
190:       default:
191:         SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, flag %d",flag);
192:     }
193:   }

195:   /* log inner nonlinear and linear iterations */
196:   CVodeGetNumNonlinSolvIters(mem,&nits);
197:   CVSpilsGetNumLinIters(mem,&lits);
198:   ts->snes_its += nits; ts->ksp_its = lits;

200:   /* copy the solution from cvode->y to cvode->update and sol */
201:   VecPlaceArray(cvode->w1,y_data);
202:   VecCopy(cvode->w1,cvode->update);
203:   VecResetArray(cvode->w1);
204:   VecCopy(cvode->update,ts->vec_sol);

206:   ts->time_step = t - ts->ptime;
207:   ts->ptime = t;

209:   CVodeGetNumSteps(mem,&nsteps);
210:   if (!cvode->monitorstep) ts->steps = nsteps - 1; /* TSStep() increments the step counter by one */
211:   return(0);
212: }

216: static PetscErrorCode TSInterpolate_Sundials(TS ts,PetscReal t,Vec X)
217: {
218:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
219:   N_Vector       y;
221:   PetscScalar    *x_data;
222:   PetscInt       glosize,locsize;

225:   /* get the vector size */
226:   VecGetSize(X,&glosize);
227:   VecGetLocalSize(X,&locsize);

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

233:   VecGetArray(X,&x_data);
234:   N_VSetArrayPointer((realtype*)x_data,y);
235:   CVodeGetDky(cvode->mem,t,0,y);
236:   VecRestoreArray(X,&x_data);
237:   return(0);
238: }

242: PetscErrorCode TSReset_Sundials(TS ts)
243: {
244:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;

248:   VecDestroy(&cvode->update);
249:   VecDestroy(&cvode->ydot);
250:   VecDestroy(&cvode->w1);
251:   VecDestroy(&cvode->w2);
252:   if (cvode->mem) CVodeFree(&cvode->mem);
253:   return(0);
254: }

258: PetscErrorCode TSDestroy_Sundials(TS ts)
259: {
260:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;

264:   TSReset_Sundials(ts);
265:   MPI_Comm_free(&(cvode->comm_sundials));
266:   PetscFree(ts->data);
267:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetType_C",NULL);
268:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxl_C",NULL);
269:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetLinearTolerance_C",NULL);
270:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetGramSchmidtType_C",NULL);
271:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetTolerance_C",NULL);
272:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMinTimeStep_C",NULL);
273:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxTimeStep_C",NULL);
274:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetPC_C",NULL);
275:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetIterations_C",NULL);
276:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsMonitorInternalSteps_C",NULL);
277:   return(0);
278: }

282: PetscErrorCode TSSetUp_Sundials(TS ts)
283: {
284:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
286:   PetscInt       glosize,locsize,i,flag;
287:   PetscScalar    *y_data,*parray;
288:   void           *mem;
289:   PC             pc;
290:   PCType         pctype;
291:   PetscBool      pcnone;

294:   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");

296:   /* get the vector size */
297:   VecGetSize(ts->vec_sol,&glosize);
298:   VecGetLocalSize(ts->vec_sol,&locsize);

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

304:   /* initialize N_Vec y: copy ts->vec_sol to cvode->y */
305:   VecGetArray(ts->vec_sol,&parray);
306:   y_data = (PetscScalar*) N_VGetArrayPointer(cvode->y);
307:   for (i = 0; i < locsize; i++) y_data[i] = parray[i];
308:   VecRestoreArray(ts->vec_sol,NULL);

310:   VecDuplicate(ts->vec_sol,&cvode->update);
311:   VecDuplicate(ts->vec_sol,&cvode->ydot);
312:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->update);
313:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->ydot);

315:   /*
316:     Create work vectors for the TSPSolve_Sundials() routine. Note these are
317:     allocated with zero space arrays because the actual array space is provided
318:     by Sundials and set using VecPlaceArray().
319:   */
320:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w1);
321:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w2);
322:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->w1);
323:   PetscLogObjectParent((PetscObject)ts,(PetscObject)cvode->w2);

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

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

334:   /* Sundials may choose to use a smaller initial step, but will never use a larger step. */
335:   flag = CVodeSetInitStep(mem,(realtype)ts->time_step);
336:   if (flag) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetInitStep() failed");
337:   if (cvode->mindt > 0) {
338:     flag = CVodeSetMinStep(mem,(realtype)cvode->mindt);
339:     if (flag) {
340:       if (flag == CV_MEM_NULL) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMinStep() failed, cvode_mem pointer is NULL");
341:       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");
342:       else SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMinStep() failed");
343:     }
344:   }
345:   if (cvode->maxdt > 0) {
346:     flag = CVodeSetMaxStep(mem,(realtype)cvode->maxdt);
347:     if (flag) SETERRQ(PetscObjectComm((PetscObject)ts),PETSC_ERR_LIB,"CVodeSetMaxStep() failed");
348:   }

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

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

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

364:   /* call CVSpgmr to use GMRES as the linear solver.        */
365:   /* setup the ode integrator with the given preconditioner */
366:   TSSundialsGetPC(ts,&pc);
367:   PCGetType(pc,&pctype);
368:   PetscObjectTypeCompare((PetscObject)pc,PCNONE,&pcnone);
369:   if (pcnone) {
370:     flag = CVSpgmr(mem,PREC_NONE,0);
371:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmr() fails, flag %d",flag);
372:   } else {
373:     flag = CVSpgmr(mem,PREC_LEFT,cvode->maxl);
374:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmr() fails, flag %d",flag);

376:     /* Set preconditioner and solve routines Precond and PSolve,
377:      and the pointer to the user-defined block data */
378:     flag = CVSpilsSetPreconditioner(mem,TSPrecond_Sundials,TSPSolve_Sundials);
379:     if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpilsSetPreconditioner() fails, flag %d", flag);
380:   }

382:   flag = CVSpilsSetGSType(mem, MODIFIED_GS);
383:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmrSetGSType() fails, flag %d",flag);
384:   return(0);
385: }

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

394: PetscErrorCode TSSetFromOptions_Sundials(PetscOptionItems *PetscOptionsObject,TS ts)
395: {
396:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
398:   int            indx;
399:   PetscBool      flag;
400:   PC             pc;

403:   PetscOptionsHead(PetscOptionsObject,"SUNDIALS ODE solver options");
404:   PetscOptionsEList("-ts_sundials_type","Scheme","TSSundialsSetType",TSSundialsLmmTypes,3,TSSundialsLmmTypes[cvode->cvode_type],&indx,&flag);
405:   if (flag) {
406:     TSSundialsSetType(ts,(TSSundialsLmmType)indx);
407:   }
408:   PetscOptionsEList("-ts_sundials_gramschmidt_type","Type of orthogonalization","TSSundialsSetGramSchmidtType",TSSundialsGramSchmidtTypes,3,TSSundialsGramSchmidtTypes[cvode->gtype],&indx,&flag);
409:   if (flag) {
410:     TSSundialsSetGramSchmidtType(ts,(TSSundialsGramSchmidtType)indx);
411:   }
412:   PetscOptionsReal("-ts_sundials_atol","Absolute tolerance for convergence","TSSundialsSetTolerance",cvode->abstol,&cvode->abstol,NULL);
413:   PetscOptionsReal("-ts_sundials_rtol","Relative tolerance for convergence","TSSundialsSetTolerance",cvode->reltol,&cvode->reltol,NULL);
414:   PetscOptionsReal("-ts_sundials_mindt","Minimum step size","TSSundialsSetMinTimeStep",cvode->mindt,&cvode->mindt,NULL);
415:   PetscOptionsReal("-ts_sundials_maxdt","Maximum step size","TSSundialsSetMaxTimeStep",cvode->maxdt,&cvode->maxdt,NULL);
416:   PetscOptionsReal("-ts_sundials_linear_tolerance","Convergence tolerance for linear solve","TSSundialsSetLinearTolerance",cvode->linear_tol,&cvode->linear_tol,NULL);
417:   PetscOptionsInt("-ts_sundials_maxl","Max dimension of the Krylov subspace","TSSundialsSetMaxl",cvode->maxl,&cvode->maxl,NULL);
418:   PetscOptionsBool("-ts_sundials_monitor_steps","Monitor SUNDIALS internal steps","TSSundialsMonitorInternalSteps",cvode->monitorstep,&cvode->monitorstep,NULL);
419:   PetscOptionsTail();
420:   TSSundialsGetPC(ts,&pc);
421:   PCSetFromOptions(pc);
422:   return(0);
423: }

427: PetscErrorCode TSView_Sundials(TS ts,PetscViewer viewer)
428: {
429:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
431:   char           *type;
432:   char           atype[] = "Adams";
433:   char           btype[] = "BDF: backward differentiation formula";
434:   PetscBool      iascii,isstring;
435:   long int       nsteps,its,nfevals,nlinsetups,nfails,itmp;
436:   PetscInt       qlast,qcur;
437:   PetscReal      hinused,hlast,hcur,tcur,tolsfac;
438:   PC             pc;

441:   if (cvode->cvode_type == SUNDIALS_ADAMS) type = atype;
442:   else                                     type = btype;

444:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERASCII,&iascii);
445:   PetscObjectTypeCompare((PetscObject)viewer,PETSCVIEWERSTRING,&isstring);
446:   if (iascii) {
447:     PetscViewerASCIIPrintf(viewer,"Sundials integrater does not use SNES!\n");
448:     PetscViewerASCIIPrintf(viewer,"Sundials integrater type %s\n",type);
449:     PetscViewerASCIIPrintf(viewer,"Sundials abs tol %g rel tol %g\n",cvode->abstol,cvode->reltol);
450:     PetscViewerASCIIPrintf(viewer,"Sundials linear solver tolerance factor %g\n",cvode->linear_tol);
451:     PetscViewerASCIIPrintf(viewer,"Sundials max dimension of Krylov subspace %D\n",cvode->maxl);
452:     if (cvode->gtype == SUNDIALS_MODIFIED_GS) {
453:       PetscViewerASCIIPrintf(viewer,"Sundials using modified Gram-Schmidt for orthogonalization in GMRES\n");
454:     } else {
455:       PetscViewerASCIIPrintf(viewer,"Sundials using unmodified (classical) Gram-Schmidt for orthogonalization in GMRES\n");
456:     }
457:     if (cvode->mindt > 0) {PetscViewerASCIIPrintf(viewer,"Sundials minimum time step %g\n",cvode->mindt);}
458:     if (cvode->maxdt > 0) {PetscViewerASCIIPrintf(viewer,"Sundials maximum time step %g\n",cvode->maxdt);}

460:     /* Outputs from CVODE, CVSPILS */
461:     CVodeGetTolScaleFactor(cvode->mem,&tolsfac);
462:     PetscViewerASCIIPrintf(viewer,"Sundials suggested factor for tolerance scaling %g\n",tolsfac);
463:     CVodeGetIntegratorStats(cvode->mem,&nsteps,&nfevals,
464:                                    &nlinsetups,&nfails,&qlast,&qcur,
465:                                    &hinused,&hlast,&hcur,&tcur);
466:     PetscViewerASCIIPrintf(viewer,"Sundials cumulative number of internal steps %D\n",nsteps);
467:     PetscViewerASCIIPrintf(viewer,"Sundials no. of calls to rhs function %D\n",nfevals);
468:     PetscViewerASCIIPrintf(viewer,"Sundials no. of calls to linear solver setup function %D\n",nlinsetups);
469:     PetscViewerASCIIPrintf(viewer,"Sundials no. of error test failures %D\n",nfails);

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

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

480:     TSSundialsGetPC(ts,&pc);
481:     PCView(pc,viewer);
482:     CVSpilsGetNumPrecEvals(cvode->mem,&itmp);
483:     PetscViewerASCIIPrintf(viewer,"Sundials no. of preconditioner evaluations %D\n",itmp);
484:     CVSpilsGetNumPrecSolves(cvode->mem,&itmp);
485:     PetscViewerASCIIPrintf(viewer,"Sundials no. of preconditioner solves %D\n",itmp);

487:     CVSpilsGetNumJtimesEvals(cvode->mem,&itmp);
488:     PetscViewerASCIIPrintf(viewer,"Sundials no. of Jacobian-vector product evaluations %D\n",itmp);
489:     CVSpilsGetNumRhsEvals(cvode->mem,&itmp);
490:     PetscViewerASCIIPrintf(viewer,"Sundials no. of rhs calls for finite diff. Jacobian-vector evals %D\n",itmp);
491:   } else if (isstring) {
492:     PetscViewerStringSPrintf(viewer,"Sundials type %s",type);
493:   }
494:   return(0);
495: }


498: /* --------------------------------------------------------------------------*/
501: PetscErrorCode  TSSundialsSetType_Sundials(TS ts,TSSundialsLmmType type)
502: {
503:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

506:   cvode->cvode_type = type;
507:   return(0);
508: }

512: PetscErrorCode  TSSundialsSetMaxl_Sundials(TS ts,PetscInt maxl)
513: {
514:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

517:   cvode->maxl = maxl;
518:   return(0);
519: }

523: PetscErrorCode  TSSundialsSetLinearTolerance_Sundials(TS ts,double tol)
524: {
525:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

528:   cvode->linear_tol = tol;
529:   return(0);
530: }

534: PetscErrorCode  TSSundialsSetGramSchmidtType_Sundials(TS ts,TSSundialsGramSchmidtType type)
535: {
536:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

539:   cvode->gtype = type;
540:   return(0);
541: }

545: PetscErrorCode  TSSundialsSetTolerance_Sundials(TS ts,double aabs,double rel)
546: {
547:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

550:   if (aabs != PETSC_DECIDE) cvode->abstol = aabs;
551:   if (rel != PETSC_DECIDE)  cvode->reltol = rel;
552:   return(0);
553: }

557: PetscErrorCode  TSSundialsSetMinTimeStep_Sundials(TS ts,PetscReal mindt)
558: {
559:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

562:   cvode->mindt = mindt;
563:   return(0);
564: }

568: PetscErrorCode  TSSundialsSetMaxTimeStep_Sundials(TS ts,PetscReal maxdt)
569: {
570:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

573:   cvode->maxdt = maxdt;
574:   return(0);
575: }
578: PetscErrorCode  TSSundialsGetPC_Sundials(TS ts,PC *pc)
579: {
580:   SNES           snes;
581:   KSP            ksp;

585:   TSGetSNES(ts,&snes);
586:   SNESGetKSP(snes,&ksp);
587:   KSPGetPC(ksp,pc);
588:   return(0);
589: }

593: PetscErrorCode  TSSundialsGetIterations_Sundials(TS ts,int *nonlin,int *lin)
594: {
596:   if (nonlin) *nonlin = ts->snes_its;
597:   if (lin)    *lin    = ts->ksp_its;
598:   return(0);
599: }

603: PetscErrorCode  TSSundialsMonitorInternalSteps_Sundials(TS ts,PetscBool s)
604: {
605:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

608:   cvode->monitorstep = s;
609:   return(0);
610: }
611: /* -------------------------------------------------------------------------------------------*/

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

618:    Not Collective

620:    Input parameters:
621: .    ts     - the time-step context

623:    Output Parameters:
624: +   nonlin - number of nonlinear iterations
625: -   lin    - number of linear iterations

627:    Level: advanced

629:    Notes:
630:     These return the number since the creation of the TS object

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

634: .seealso: TSSundialsSetType(), TSSundialsSetMaxl(),
635:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
636:           TSSundialsGetIterations(), TSSundialsSetType(),
637:           TSSundialsSetLinearTolerance(), TSSundialsGetPC(), TSSetExactFinalTime()

639: @*/
640: PetscErrorCode  TSSundialsGetIterations(TS ts,int *nonlin,int *lin)
641: {

645:   PetscUseMethod(ts,"TSSundialsGetIterations_C",(TS,int*,int*),(ts,nonlin,lin));
646:   return(0);
647: }

651: /*@
652:    TSSundialsSetType - Sets the method that Sundials will use for integration.

654:    Logically Collective on TS

656:    Input parameters:
657: +    ts     - the time-step context
658: -    type   - one of  SUNDIALS_ADAMS or SUNDIALS_BDF

660:    Level: intermediate

662: .keywords: Adams, backward differentiation formula

664: .seealso: TSSundialsGetIterations(),  TSSundialsSetMaxl(),
665:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
666:           TSSundialsGetIterations(), TSSundialsSetType(),
667:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
668:           TSSetExactFinalTime()
669: @*/
670: PetscErrorCode  TSSundialsSetType(TS ts,TSSundialsLmmType type)
671: {

675:   PetscTryMethod(ts,"TSSundialsSetType_C",(TS,TSSundialsLmmType),(ts,type));
676:   return(0);
677: }

681: /*@
682:    TSSundialsSetMaxl - Sets the dimension of the Krylov space used by
683:        GMRES in the linear solver in SUNDIALS. SUNDIALS DOES NOT use restarted GMRES so
684:        this is the maximum number of GMRES steps that will be used.

686:    Logically Collective on TS

688:    Input parameters:
689: +    ts      - the time-step context
690: -    maxl - number of direction vectors (the dimension of Krylov subspace).

692:    Level: advanced

694: .keywords: GMRES

696: .seealso: TSSundialsGetIterations(), TSSundialsSetType(),
697:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
698:           TSSundialsGetIterations(), TSSundialsSetType(),
699:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
700:           TSSetExactFinalTime()

702: @*/
703: PetscErrorCode  TSSundialsSetMaxl(TS ts,PetscInt maxl)
704: {

709:   PetscTryMethod(ts,"TSSundialsSetMaxl_C",(TS,PetscInt),(ts,maxl));
710:   return(0);
711: }

715: /*@
716:    TSSundialsSetLinearTolerance - Sets the tolerance used to solve the linear
717:        system by SUNDIALS.

719:    Logically Collective on TS

721:    Input parameters:
722: +    ts     - the time-step context
723: -    tol    - the factor by which the tolerance on the nonlinear solver is
724:              multiplied to get the tolerance on the linear solver, .05 by default.

726:    Level: advanced

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

730: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
731:           TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
732:           TSSundialsGetIterations(), TSSundialsSetType(),
733:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
734:           TSSetExactFinalTime()

736: @*/
737: PetscErrorCode  TSSundialsSetLinearTolerance(TS ts,double tol)
738: {

743:   PetscTryMethod(ts,"TSSundialsSetLinearTolerance_C",(TS,double),(ts,tol));
744:   return(0);
745: }

749: /*@
750:    TSSundialsSetGramSchmidtType - Sets type of orthogonalization used
751:         in GMRES method by SUNDIALS linear solver.

753:    Logically Collective on TS

755:    Input parameters:
756: +    ts  - the time-step context
757: -    type - either SUNDIALS_MODIFIED_GS or SUNDIALS_CLASSICAL_GS

759:    Level: advanced

761: .keywords: Sundials, orthogonalization

763: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
764:           TSSundialsSetLinearTolerance(),  TSSundialsSetTolerance(),
765:           TSSundialsGetIterations(), TSSundialsSetType(),
766:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
767:           TSSetExactFinalTime()

769: @*/
770: PetscErrorCode  TSSundialsSetGramSchmidtType(TS ts,TSSundialsGramSchmidtType type)
771: {

775:   PetscTryMethod(ts,"TSSundialsSetGramSchmidtType_C",(TS,TSSundialsGramSchmidtType),(ts,type));
776:   return(0);
777: }

781: /*@
782:    TSSundialsSetTolerance - Sets the absolute and relative tolerance used by
783:                          Sundials for error control.

785:    Logically Collective on TS

787:    Input parameters:
788: +    ts  - the time-step context
789: .    aabs - the absolute tolerance
790: -    rel - the relative tolerance

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

795:    Level: intermediate

797: .keywords: Sundials, tolerance

799: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetGMRESMaxl(),
800:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(),
801:           TSSundialsGetIterations(), TSSundialsSetType(),
802:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
803:           TSSetExactFinalTime()

805: @*/
806: PetscErrorCode  TSSundialsSetTolerance(TS ts,double aabs,double rel)
807: {

811:   PetscTryMethod(ts,"TSSundialsSetTolerance_C",(TS,double,double),(ts,aabs,rel));
812:   return(0);
813: }

817: /*@
818:    TSSundialsGetPC - Extract the PC context from a time-step context for Sundials.

820:    Input Parameter:
821: .    ts - the time-step context

823:    Output Parameter:
824: .    pc - the preconditioner context

826:    Level: advanced

828: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
829:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
830:           TSSundialsGetIterations(), TSSundialsSetType(),
831:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance()
832: @*/
833: PetscErrorCode  TSSundialsGetPC(TS ts,PC *pc)
834: {

838:   PetscUseMethod(ts,"TSSundialsGetPC_C",(TS,PC*),(ts,pc));
839:   return(0);
840: }

844: /*@
845:    TSSundialsSetMinTimeStep - Smallest time step to be chosen by the adaptive controller.

847:    Input Parameter:
848: +   ts - the time-step context
849: -   mindt - lowest time step if positive, negative to deactivate

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

855:    Level: beginner

857: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
858: @*/
859: PetscErrorCode  TSSundialsSetMinTimeStep(TS ts,PetscReal mindt)
860: {

864:   PetscTryMethod(ts,"TSSundialsSetMinTimeStep_C",(TS,PetscReal),(ts,mindt));
865:   return(0);
866: }

870: /*@
871:    TSSundialsSetMaxTimeStep - Largest time step to be chosen by the adaptive controller.

873:    Input Parameter:
874: +   ts - the time-step context
875: -   maxdt - lowest time step if positive, negative to deactivate

877:    Level: beginner

879: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
880: @*/
881: PetscErrorCode  TSSundialsSetMaxTimeStep(TS ts,PetscReal maxdt)
882: {

886:   PetscTryMethod(ts,"TSSundialsSetMaxTimeStep_C",(TS,PetscReal),(ts,maxdt));
887:   return(0);
888: }

892: /*@
893:    TSSundialsMonitorInternalSteps - Monitor Sundials internal steps (Defaults to false).

895:    Input Parameter:
896: +   ts - the time-step context
897: -   ft - PETSC_TRUE if monitor, else PETSC_FALSE

899:    Level: beginner

901: .seealso:TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
902:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
903:           TSSundialsGetIterations(), TSSundialsSetType(),
904:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC()
905: @*/
906: PetscErrorCode  TSSundialsMonitorInternalSteps(TS ts,PetscBool ft)
907: {

911:   PetscTryMethod(ts,"TSSundialsMonitorInternalSteps_C",(TS,PetscBool),(ts,ft));
912:   return(0);
913: }
914: /* -------------------------------------------------------------------------------------------*/
915: /*MC
916:       TSSUNDIALS - ODE solver using the LLNL CVODE/SUNDIALS package (now called SUNDIALS)

918:    Options Database:
919: +    -ts_sundials_type <bdf,adams>
920: .    -ts_sundials_gramschmidt_type <modified, classical> - type of orthogonalization inside GMRES
921: .    -ts_sundials_atol <tol> - Absolute tolerance for convergence
922: .    -ts_sundials_rtol <tol> - Relative tolerance for convergence
923: .    -ts_sundials_linear_tolerance <tol>
924: .    -ts_sundials_maxl <maxl> - Max dimension of the Krylov subspace
925: -    -ts_sundials_monitor_steps - Monitor SUNDIALS internel steps


928:     Notes: This uses its own nonlinear solver and Krylov method so PETSc SNES and KSP options do not apply
929:            only PETSc PC options

931:     Level: beginner

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

936: M*/
939: PETSC_EXTERN PetscErrorCode TSCreate_Sundials(TS ts)
940: {
941:   TS_Sundials    *cvode;
943:   PC             pc;

946:   ts->ops->reset          = TSReset_Sundials;
947:   ts->ops->destroy        = TSDestroy_Sundials;
948:   ts->ops->view           = TSView_Sundials;
949:   ts->ops->setup          = TSSetUp_Sundials;
950:   ts->ops->step           = TSStep_Sundials;
951:   ts->ops->interpolate    = TSInterpolate_Sundials;
952:   ts->ops->setfromoptions = TSSetFromOptions_Sundials;

954:   PetscNewLog(ts,&cvode);

956:   ts->data           = (void*)cvode;
957:   cvode->cvode_type  = SUNDIALS_BDF;
958:   cvode->gtype       = SUNDIALS_CLASSICAL_GS;
959:   cvode->maxl        = 5;
960:   cvode->linear_tol  = .05;
961:   cvode->monitorstep = PETSC_TRUE;

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

965:   cvode->mindt = -1.;
966:   cvode->maxdt = -1.;

968:   /* set tolerance for Sundials */
969:   cvode->reltol = 1e-6;
970:   cvode->abstol = 1e-6;

972:   /* set PCNONE as default pctype */
973:   TSSundialsGetPC_Sundials(ts,&pc);
974:   PCSetType(pc,PCNONE);

976:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetType_C",TSSundialsSetType_Sundials);
977:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxl_C",TSSundialsSetMaxl_Sundials);
978:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetLinearTolerance_C",TSSundialsSetLinearTolerance_Sundials);
979:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetGramSchmidtType_C",TSSundialsSetGramSchmidtType_Sundials);
980:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetTolerance_C",TSSundialsSetTolerance_Sundials);
981:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMinTimeStep_C",TSSundialsSetMinTimeStep_Sundials);
982:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxTimeStep_C",TSSundialsSetMaxTimeStep_Sundials);
983:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetPC_C",TSSundialsGetPC_Sundials);
984:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetIterations_C",TSSundialsGetIterations_Sundials);
985:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsMonitorInternalSteps_C",TSSundialsMonitorInternalSteps_Sundials);
986:   return(0);
987: }