Actual source code: sundials.c
petsc-3.7.1 2016-05-15
Report Typos and Errors

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

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