Actual source code: sundials.c

petsc-3.4.4 2014-03-13
  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 sundials.h

 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:   MatStructure   str = DIFFERENT_NONZERO_PATTERN;
 27:   PetscScalar    *y_data;

 30:   TSGetIJacobian(ts,&J,&P,NULL,NULL);
 31:   y_data = (PetscScalar*) N_VGetArrayPointer(y);
 32:   VecPlaceArray(yy,y_data);
 33:   VecZeroEntries(yydot); /* The Jacobian is independent of Ydot for ODE which is all that CVode works for */
 34:   /* compute the shifted Jacobian   (1/gm)*I + Jrest */
 35:   TSComputeIJacobian(ts,ts->ptime,yy,yydot,1/gm,&J,&P,&str,PETSC_FALSE);
 36:   VecResetArray(yy);
 37:   MatScale(P,gm); /* turn into I-gm*Jrest, J is not used by Sundials  */
 38:   *jcurPtr = TRUE;
 39:   TSSundialsGetPC(ts,&pc);
 40:   PCSetOperators(pc,J,P,str);
 41:   return(0);
 42: }

 44: /*
 45:      TSPSolve_Sundials -  routine that we provide to Sundials that applies the preconditioner.
 46: */
 49: PetscErrorCode TSPSolve_Sundials(realtype tn,N_Vector y,N_Vector fy,N_Vector r,N_Vector z,
 50:                                  realtype _gamma,realtype delta,int lr,void *P_data,N_Vector vtemp)
 51: {
 52:   TS             ts     = (TS) P_data;
 53:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
 54:   PC             pc;
 55:   Vec            rr = cvode->w1,zz = cvode->w2;
 57:   PetscScalar    *r_data,*z_data;

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

 66:   /* Solve the Px=r and put the result in zz */
 67:   TSSundialsGetPC(ts,&pc);
 68:   PCApply(pc,rr,zz);
 69:   VecResetArray(rr);
 70:   VecResetArray(zz);
 71:   return(0);
 72: }

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

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

 99:   /* Now compute the right hand side function, via IFunction unless only the more efficient RHSFunction is set */
100:   TSGetDM(ts,&dm);
101:   DMGetDMTS(dm,&tsdm);
102:   DMTSGetIFunction(dm,&ifunction,NULL);
103:   if (!ifunction) {
104:     TSComputeRHSFunction(ts,t,yy,yyd);
105:   } else {                      /* If rhsfunction is also set, this computes both parts and shifts them to the right */
106:     VecZeroEntries(yydot);
107:     TSComputeIFunction(ts,t,yy,yydot,yyd,PETSC_FALSE);CHKERRABORT(comm,ierr);
108:     VecScale(yyd,-1.);
109:   }
110:   VecResetArray(yy);CHKERRABORT(comm,ierr);
111:   VecResetArray(yyd);CHKERRABORT(comm,ierr);
112:   return(0);
113: }

115: /*
116:        TSStep_Sundials - Calls Sundials to integrate the ODE.
117: */
120: PetscErrorCode TSStep_Sundials(TS ts)
121: {
122:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
124:   PetscInt       flag;
125:   long int       its,nsteps;
126:   realtype       t,tout;
127:   PetscScalar    *y_data;
128:   void           *mem;

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

137:   TSPreStep(ts);

139:   /* We would like to call TSPreStep() when starting each step (including rejections) and TSPreStage() before each
140:    * stage solve, but CVode does not appear to support this. */
141:   if (cvode->monitorstep) flag = CVode(mem,tout,cvode->y,&t,CV_ONE_STEP);
142:   else flag = CVode(mem,tout,cvode->y,&t,CV_NORMAL);

144:   if (flag) { /* display error message */
145:     switch (flag) {
146:       case CV_ILL_INPUT:
147:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ILL_INPUT");
148:         break;
149:       case CV_TOO_CLOSE:
150:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_CLOSE");
151:         break;
152:       case CV_TOO_MUCH_WORK: {
153:         PetscReal      tcur;
154:         CVodeGetNumSteps(mem,&nsteps);
155:         CVodeGetCurrentTime(mem,&tcur);
156:         SETERRQ3(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_MUCH_WORK. At t=%G, nsteps %D exceeds mxstep %D. Increase '-ts_max_steps <>' or modify TSSetDuration()",tcur,nsteps,ts->max_steps);
157:       } break;
158:       case CV_TOO_MUCH_ACC:
159:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_TOO_MUCH_ACC");
160:         break;
161:       case CV_ERR_FAILURE:
162:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_ERR_FAILURE");
163:         break;
164:       case CV_CONV_FAILURE:
165:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_CONV_FAILURE");
166:         break;
167:       case CV_LINIT_FAIL:
168:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LINIT_FAIL");
169:         break;
170:       case CV_LSETUP_FAIL:
171:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSETUP_FAIL");
172:         break;
173:       case CV_LSOLVE_FAIL:
174:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_LSOLVE_FAIL");
175:         break;
176:       case CV_RHSFUNC_FAIL:
177:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RHSFUNC_FAIL");
178:         break;
179:       case CV_FIRST_RHSFUNC_ERR:
180:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_FIRST_RHSFUNC_ERR");
181:         break;
182:       case CV_REPTD_RHSFUNC_ERR:
183:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_REPTD_RHSFUNC_ERR");
184:         break;
185:       case CV_UNREC_RHSFUNC_ERR:
186:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_UNREC_RHSFUNC_ERR");
187:         break;
188:       case CV_RTFUNC_FAIL:
189:         SETERRQ(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, CV_RTFUNC_FAIL");
190:         break;
191:       default:
192:         SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVode() fails, flag %d",flag);
193:     }
194:   }

196:   /* copy the solution from cvode->y to cvode->update and sol */
197:   VecPlaceArray(cvode->w1,y_data);
198:   VecCopy(cvode->w1,cvode->update);
199:   VecResetArray(cvode->w1);
200:   VecCopy(cvode->update,ts->vec_sol);
201:   CVodeGetNumNonlinSolvIters(mem,&its);
202:   CVSpilsGetNumLinIters(mem, &its);
203:   ts->snes_its = its; ts->ksp_its = its;

205:   ts->time_step = t - ts->ptime;
206:   ts->ptime     = t;
207:   ts->steps++;

209:   CVodeGetNumSteps(mem,&nsteps);
210:   if (!cvode->monitorstep) ts->steps = nsteps;
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:   /* get the vector size */
295:   VecGetSize(ts->vec_sol,&glosize);
296:   VecGetLocalSize(ts->vec_sol,&locsize);

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

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

308:   VecDuplicate(ts->vec_sol,&cvode->update);
309:   VecDuplicate(ts->vec_sol,&cvode->ydot);
310:   PetscLogObjectParent(ts,cvode->update);
311:   PetscLogObjectParent(ts,cvode->ydot);

313:   /*
314:     Create work vectors for the TSPSolve_Sundials() routine. Note these are
315:     allocated with zero space arrays because the actual array space is provided
316:     by Sundials and set using VecPlaceArray().
317:   */
318:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w1);
319:   VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts),1,locsize,PETSC_DECIDE,0,&cvode->w2);
320:   PetscLogObjectParent(ts,cvode->w1);
321:   PetscLogObjectParent(ts,cvode->w2);

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

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

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

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

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

358:   /* Specify max num of steps to be taken by cvode in its attempt to reach the next output time */
359:   flag = CVodeSetMaxNumSteps(mem,ts->max_steps);

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

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

379:   flag = CVSpilsSetGSType(mem, MODIFIED_GS);
380:   if (flag) SETERRQ1(PETSC_COMM_SELF,PETSC_ERR_LIB,"CVSpgmrSetGSType() fails, flag %d",flag);
381:   return(0);
382: }

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

391: PetscErrorCode TSSetFromOptions_Sundials(TS ts)
392: {
393:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
395:   int            indx;
396:   PetscBool      flag;
397:   PC             pc;

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

424: PetscErrorCode TSView_Sundials(TS ts,PetscViewer viewer)
425: {
426:   TS_Sundials    *cvode = (TS_Sundials*)ts->data;
428:   char           *type;
429:   char           atype[] = "Adams";
430:   char           btype[] = "BDF: backward differentiation formula";
431:   PetscBool      iascii,isstring;
432:   long int       nsteps,its,nfevals,nlinsetups,nfails,itmp;
433:   PetscInt       qlast,qcur;
434:   PetscReal      hinused,hlast,hcur,tcur,tolsfac;
435:   PC             pc;

438:   if (cvode->cvode_type == SUNDIALS_ADAMS) type = atype;
439:   else                                     type = btype;

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

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

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

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

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

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


495: /* --------------------------------------------------------------------------*/
498: PetscErrorCode  TSSundialsSetType_Sundials(TS ts,TSSundialsLmmType type)
499: {
500:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

503:   cvode->cvode_type = type;
504:   return(0);
505: }

509: PetscErrorCode  TSSundialsSetMaxl_Sundials(TS ts,PetscInt maxl)
510: {
511:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

514:   cvode->maxl = maxl;
515:   return(0);
516: }

520: PetscErrorCode  TSSundialsSetLinearTolerance_Sundials(TS ts,double tol)
521: {
522:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

525:   cvode->linear_tol = tol;
526:   return(0);
527: }

531: PetscErrorCode  TSSundialsSetGramSchmidtType_Sundials(TS ts,TSSundialsGramSchmidtType type)
532: {
533:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

536:   cvode->gtype = type;
537:   return(0);
538: }

542: PetscErrorCode  TSSundialsSetTolerance_Sundials(TS ts,double aabs,double rel)
543: {
544:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

547:   if (aabs != PETSC_DECIDE) cvode->abstol = aabs;
548:   if (rel != PETSC_DECIDE)  cvode->reltol = rel;
549:   return(0);
550: }

554: PetscErrorCode  TSSundialsSetMinTimeStep_Sundials(TS ts,PetscReal mindt)
555: {
556:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

559:   cvode->mindt = mindt;
560:   return(0);
561: }

565: PetscErrorCode  TSSundialsSetMaxTimeStep_Sundials(TS ts,PetscReal maxdt)
566: {
567:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

570:   cvode->maxdt = maxdt;
571:   return(0);
572: }
575: PetscErrorCode  TSSundialsGetPC_Sundials(TS ts,PC *pc)
576: {
577:   SNES           snes;
578:   KSP            ksp;

582:   TSGetSNES(ts,&snes);
583:   SNESGetKSP(snes,&ksp);
584:   KSPGetPC(ksp,pc);
585:   return(0);
586: }

590: PetscErrorCode  TSSundialsGetIterations_Sundials(TS ts,int *nonlin,int *lin)
591: {
593:   if (nonlin) *nonlin = ts->snes_its;
594:   if (lin)    *lin    = ts->ksp_its;
595:   return(0);
596: }

600: PetscErrorCode  TSSundialsMonitorInternalSteps_Sundials(TS ts,PetscBool s)
601: {
602:   TS_Sundials *cvode = (TS_Sundials*)ts->data;

605:   cvode->monitorstep = s;
606:   return(0);
607: }
608: /* -------------------------------------------------------------------------------------------*/

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

615:    Not Collective

617:    Input parameters:
618: .    ts     - the time-step context

620:    Output Parameters:
621: +   nonlin - number of nonlinear iterations
622: -   lin    - number of linear iterations

624:    Level: advanced

626:    Notes:
627:     These return the number since the creation of the TS object

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

631: .seealso: TSSundialsSetType(), TSSundialsSetMaxl(),
632:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
633:           TSSundialsGetIterations(), TSSundialsSetType(),
634:           TSSundialsSetLinearTolerance(), TSSundialsGetPC(), TSSetExactFinalTime()

636: @*/
637: PetscErrorCode  TSSundialsGetIterations(TS ts,int *nonlin,int *lin)
638: {

642:   PetscUseMethod(ts,"TSSundialsGetIterations_C",(TS,int*,int*),(ts,nonlin,lin));
643:   return(0);
644: }

648: /*@
649:    TSSundialsSetType - Sets the method that Sundials will use for integration.

651:    Logically Collective on TS

653:    Input parameters:
654: +    ts     - the time-step context
655: -    type   - one of  SUNDIALS_ADAMS or SUNDIALS_BDF

657:    Level: intermediate

659: .keywords: Adams, backward differentiation formula

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

672:   PetscTryMethod(ts,"TSSundialsSetType_C",(TS,TSSundialsLmmType),(ts,type));
673:   return(0);
674: }

678: /*@
679:    TSSundialsSetMaxl - Sets the dimension of the Krylov space used by
680:        GMRES in the linear solver in SUNDIALS. SUNDIALS DOES NOT use restarted GMRES so
681:        this is the maximum number of GMRES steps that will be used.

683:    Logically Collective on TS

685:    Input parameters:
686: +    ts      - the time-step context
687: -    maxl - number of direction vectors (the dimension of Krylov subspace).

689:    Level: advanced

691: .keywords: GMRES

693: .seealso: TSSundialsGetIterations(), TSSundialsSetType(),
694:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
695:           TSSundialsGetIterations(), TSSundialsSetType(),
696:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
697:           TSSetExactFinalTime()

699: @*/
700: PetscErrorCode  TSSundialsSetMaxl(TS ts,PetscInt maxl)
701: {

706:   PetscTryMethod(ts,"TSSundialsSetMaxl_C",(TS,PetscInt),(ts,maxl));
707:   return(0);
708: }

712: /*@
713:    TSSundialsSetLinearTolerance - Sets the tolerance used to solve the linear
714:        system by SUNDIALS.

716:    Logically Collective on TS

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

723:    Level: advanced

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

727: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
728:           TSSundialsSetGramSchmidtType(), TSSundialsSetTolerance(),
729:           TSSundialsGetIterations(), TSSundialsSetType(),
730:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
731:           TSSetExactFinalTime()

733: @*/
734: PetscErrorCode  TSSundialsSetLinearTolerance(TS ts,double tol)
735: {

740:   PetscTryMethod(ts,"TSSundialsSetLinearTolerance_C",(TS,double),(ts,tol));
741:   return(0);
742: }

746: /*@
747:    TSSundialsSetGramSchmidtType - Sets type of orthogonalization used
748:         in GMRES method by SUNDIALS linear solver.

750:    Logically Collective on TS

752:    Input parameters:
753: +    ts  - the time-step context
754: -    type - either SUNDIALS_MODIFIED_GS or SUNDIALS_CLASSICAL_GS

756:    Level: advanced

758: .keywords: Sundials, orthogonalization

760: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetMaxl(),
761:           TSSundialsSetLinearTolerance(),  TSSundialsSetTolerance(),
762:           TSSundialsGetIterations(), TSSundialsSetType(),
763:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
764:           TSSetExactFinalTime()

766: @*/
767: PetscErrorCode  TSSundialsSetGramSchmidtType(TS ts,TSSundialsGramSchmidtType type)
768: {

772:   PetscTryMethod(ts,"TSSundialsSetGramSchmidtType_C",(TS,TSSundialsGramSchmidtType),(ts,type));
773:   return(0);
774: }

778: /*@
779:    TSSundialsSetTolerance - Sets the absolute and relative tolerance used by
780:                          Sundials for error control.

782:    Logically Collective on TS

784:    Input parameters:
785: +    ts  - the time-step context
786: .    aabs - the absolute tolerance
787: -    rel - the relative tolerance

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

792:    Level: intermediate

794: .keywords: Sundials, tolerance

796: .seealso: TSSundialsGetIterations(), TSSundialsSetType(), TSSundialsSetGMRESMaxl(),
797:           TSSundialsSetLinearTolerance(), TSSundialsSetGramSchmidtType(),
798:           TSSundialsGetIterations(), TSSundialsSetType(),
799:           TSSundialsSetLinearTolerance(), TSSundialsSetTolerance(), TSSundialsGetPC(),
800:           TSSetExactFinalTime()

802: @*/
803: PetscErrorCode  TSSundialsSetTolerance(TS ts,double aabs,double rel)
804: {

808:   PetscTryMethod(ts,"TSSundialsSetTolerance_C",(TS,double,double),(ts,aabs,rel));
809:   return(0);
810: }

814: /*@
815:    TSSundialsGetPC - Extract the PC context from a time-step context for Sundials.

817:    Input Parameter:
818: .    ts - the time-step context

820:    Output Parameter:
821: .    pc - the preconditioner context

823:    Level: advanced

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

835:   PetscUseMethod(ts,"TSSundialsGetPC_C",(TS,PC*),(ts,pc));
836:   return(0);
837: }

841: /*@
842:    TSSundialsSetMinTimeStep - Smallest time step to be chosen by the adaptive controller.

844:    Input Parameter:
845: +   ts - the time-step context
846: -   mindt - lowest time step if positive, negative to deactivate

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

852:    Level: beginner

854: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
855: @*/
856: PetscErrorCode  TSSundialsSetMinTimeStep(TS ts,PetscReal mindt)
857: {

861:   PetscTryMethod(ts,"TSSundialsSetMinTimeStep_C",(TS,PetscReal),(ts,mindt));
862:   return(0);
863: }

867: /*@
868:    TSSundialsSetMaxTimeStep - Largest time step to be chosen by the adaptive controller.

870:    Input Parameter:
871: +   ts - the time-step context
872: -   maxdt - lowest time step if positive, negative to deactivate

874:    Level: beginner

876: .seealso: TSSundialsSetType(), TSSundialsSetTolerance(),
877: @*/
878: PetscErrorCode  TSSundialsSetMaxTimeStep(TS ts,PetscReal maxdt)
879: {

883:   PetscTryMethod(ts,"TSSundialsSetMaxTimeStep_C",(TS,PetscReal),(ts,maxdt));
884:   return(0);
885: }

889: /*@
890:    TSSundialsMonitorInternalSteps - Monitor Sundials internal steps (Defaults to false).

892:    Input Parameter:
893: +   ts - the time-step context
894: -   ft - PETSC_TRUE if monitor, else PETSC_FALSE

896:    Level: beginner

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

908:   PetscTryMethod(ts,"TSSundialsMonitorInternalSteps_C",(TS,PetscBool),(ts,ft));
909:   return(0);
910: }
911: /* -------------------------------------------------------------------------------------------*/
912: /*MC
913:       TSSUNDIALS - ODE solver using the LLNL CVODE/SUNDIALS package (now called SUNDIALS)

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


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

928:     Level: beginner

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

933: M*/
936: PETSC_EXTERN PetscErrorCode TSCreate_Sundials(TS ts)
937: {
938:   TS_Sundials    *cvode;
940:   PC             pc;

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

951:   PetscNewLog(ts,TS_Sundials,&cvode);

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

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

962:   cvode->mindt = -1.;
963:   cvode->maxdt = -1.;

965:   /* set tolerance for Sundials */
966:   cvode->reltol = 1e-6;
967:   cvode->abstol = 1e-6;

969:   /* set PCNONE as default pctype */
970:   TSSundialsGetPC_Sundials(ts,&pc);
971:   PCSetType(pc,PCNONE);

973:   if (ts->exact_final_time != TS_EXACTFINALTIME_STEPOVER) ts->exact_final_time = TS_EXACTFINALTIME_STEPOVER;

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