Actual source code: sundials.c
petsc-3.10.5 2019-03-28
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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>

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

    872:     Level: beginner

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

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

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

    894:   PetscNewLog(ts,&cvode);

    896:   ts->usessnes = PETSC_TRUE;

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

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

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

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

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

    918:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetType_C",TSSundialsSetType_Sundials);
    919:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxl_C",TSSundialsSetMaxl_Sundials);
    920:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetLinearTolerance_C",TSSundialsSetLinearTolerance_Sundials);
    921:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetGramSchmidtType_C",TSSundialsSetGramSchmidtType_Sundials);
    922:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetTolerance_C",TSSundialsSetTolerance_Sundials);
    923:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMinTimeStep_C",TSSundialsSetMinTimeStep_Sundials);
    924:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsSetMaxTimeStep_C",TSSundialsSetMaxTimeStep_Sundials);
    925:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetPC_C",TSSundialsGetPC_Sundials);
    926:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsGetIterations_C",TSSundialsGetIterations_Sundials);
    927:   PetscObjectComposeFunction((PetscObject)ts,"TSSundialsMonitorInternalSteps_C",TSSundialsMonitorInternalSteps_Sundials);
    928:   return(0);
    929: }