/* Provides a PETSc interface to version 2.5 of SUNDIALS/CVODE solver (a very old version) The interface to PVODE (old version of CVODE) was originally contributed by Liyang Xu. It has been redone by Hong Zhang and Dinesh Kaushik. Reference: sundials-2.4.0/examples/cvode/parallel/cvDiurnal_kry_p.c */ #include <../src/ts/impls/implicit/sundials/sundials.h> /*I "petscts.h" I*/ /* TSPrecond_Sundials - function that we provide to SUNDIALS to evaluate the preconditioner. */ static PetscErrorCode TSPrecond_Sundials_Petsc(realtype tn, N_Vector y, N_Vector fy, booleantype jok, booleantype *jcurPtr, realtype _gamma, void *P_data, N_Vector vtemp1, N_Vector vtemp2, N_Vector vtemp3) { TS ts = (TS)P_data; TS_Sundials *cvode = (TS_Sundials *)ts->data; PC pc; Mat J, P; Vec yy = cvode->w1, yydot = cvode->ydot; PetscReal gm = (PetscReal)_gamma; PetscScalar *y_data; PetscFunctionBegin; PetscCall(TSGetIJacobian(ts, &J, &P, NULL, NULL)); y_data = (PetscScalar *)N_VGetArrayPointer(y); PetscCall(VecPlaceArray(yy, y_data)); PetscCall(VecZeroEntries(yydot)); /* The Jacobian is independent of Ydot for ODE which is all that CVode works for */ /* compute the shifted Jacobian (1/gm)*I + Jrest */ PetscCall(TSComputeIJacobian(ts, ts->ptime, yy, yydot, 1 / gm, J, P, PETSC_FALSE)); PetscCall(VecResetArray(yy)); PetscCall(MatScale(P, gm)); /* turn into I-gm*Jrest, J is not used by SUNDIALS */ *jcurPtr = TRUE; PetscCall(TSSundialsGetPC(ts, &pc)); PetscCall(PCSetOperators(pc, J, P)); PetscFunctionReturn(PETSC_SUCCESS); } /* Sundial expects an int (*)(args...) but PetscErrorCode is an enum. Instead of switching out all the PetscCalls in TSPrecond_Sundials_Petsc we just wrap it */ static int TSPrecond_Sundials_Private(realtype tn, N_Vector y, N_Vector fy, booleantype jok, booleantype *jcurPtr, realtype _gamma, void *P_data, N_Vector vtemp1, N_Vector vtemp2, N_Vector vtemp3) { return (int)TSPrecond_Sundials_Petsc(tn, y, fy, jok, jcurPtr, _gamma, P_data, vtemp1, vtemp2, vtemp3); } /* TSPSolve_Sundials - routine that we provide to SUNDIALS that applies the preconditioner. */ static PetscErrorCode TSPSolve_Sundials_Petsc(realtype tn, N_Vector y, N_Vector fy, N_Vector r, N_Vector z, realtype _gamma, realtype delta, int lr, void *P_data, N_Vector vtemp) { TS ts = (TS)P_data; TS_Sundials *cvode = (TS_Sundials *)ts->data; PC pc; Vec rr = cvode->w1, zz = cvode->w2; PetscScalar *r_data, *z_data; PetscFunctionBegin; /* Make the PETSc work vectors rr and zz point to the arrays in the SUNDIALS vectors r and z respectively*/ r_data = (PetscScalar *)N_VGetArrayPointer(r); z_data = (PetscScalar *)N_VGetArrayPointer(z); PetscCall(VecPlaceArray(rr, r_data)); PetscCall(VecPlaceArray(zz, z_data)); /* Solve the Px=r and put the result in zz */ PetscCall(TSSundialsGetPC(ts, &pc)); PetscCall(PCApply(pc, rr, zz)); PetscCall(VecResetArray(rr)); PetscCall(VecResetArray(zz)); PetscFunctionReturn(PETSC_SUCCESS); } /* See TSPrecond_Sundials_Private() */ static int TSPSolve_Sundials_Private(realtype tn, N_Vector y, N_Vector fy, N_Vector r, N_Vector z, realtype _gamma, realtype delta, int lr, void *P_data, N_Vector vtemp) { return (int)TSPSolve_Sundials_Petsc(tn, y, fy, r, z, _gamma, delta, lr, P_data, vtemp); } /* TSFunction_Sundials - routine that we provide to SUNDIALS that applies the right-hand side. */ static int TSFunction_Sundials(realtype t, N_Vector y, N_Vector ydot, PetscCtx ctx) { TS ts = (TS)ctx; DM dm; DMTS tsdm; TSIFunctionFn *ifunction; MPI_Comm comm; TS_Sundials *cvode = (TS_Sundials *)ts->data; Vec yy = cvode->w1, yyd = cvode->w2, yydot = cvode->ydot; PetscScalar *y_data, *ydot_data; PetscFunctionBegin; PetscCall(PetscObjectGetComm((PetscObject)ts, &comm)); /* Make the PETSc work vectors yy and yyd point to the arrays in the SUNDIALS vectors y and ydot respectively*/ y_data = (PetscScalar *)N_VGetArrayPointer(y); ydot_data = (PetscScalar *)N_VGetArrayPointer(ydot); PetscCallAbort(comm, VecPlaceArray(yy, y_data)); PetscCallAbort(comm, VecPlaceArray(yyd, ydot_data)); /* Now compute the right-hand side function, via IFunction unless only the more efficient RHSFunction is set */ PetscCall(TSGetDM(ts, &dm)); PetscCall(DMGetDMTS(dm, &tsdm)); PetscCall(DMTSGetIFunction(dm, &ifunction, NULL)); if (!ifunction) { PetscCall(TSComputeRHSFunction(ts, t, yy, yyd)); } else { /* If rhsfunction is also set, this computes both parts and shifts them to the right */ PetscCall(VecZeroEntries(yydot)); PetscCallAbort(comm, TSComputeIFunction(ts, t, yy, yydot, yyd, PETSC_FALSE)); PetscCall(VecScale(yyd, -1.)); } PetscCallAbort(comm, VecResetArray(yy)); PetscCallAbort(comm, VecResetArray(yyd)); PetscFunctionReturn(PETSC_SUCCESS); } /* TSStep_Sundials - Calls SUNDIALS to integrate the ODE. */ static PetscErrorCode TSStep_Sundials(TS ts) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscInt flag; long int nits, lits, nsteps; realtype t, tout; PetscScalar *y_data; void *mem; PetscFunctionBegin; mem = cvode->mem; tout = ts->max_time; PetscCall(VecGetArray(ts->vec_sol, &y_data)); N_VSetArrayPointer((realtype *)y_data, cvode->y); PetscCall(VecRestoreArray(ts->vec_sol, NULL)); /* We would like to TSPreStage() and TSPostStage() * before each stage solve but CVode does not appear to support this. */ if (cvode->monitorstep) flag = CVode(mem, tout, cvode->y, &t, CV_ONE_STEP); else flag = CVode(mem, tout, cvode->y, &t, CV_NORMAL); if (flag) { /* display error message */ switch (flag) { case CV_ILL_INPUT: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_ILL_INPUT"); break; case CV_TOO_CLOSE: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_TOO_CLOSE"); break; case CV_TOO_MUCH_WORK: { PetscReal tcur; PetscCallExternal(CVodeGetNumSteps, mem, &nsteps); PetscCallExternal(CVodeGetCurrentTime, mem, &tcur); SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_TOO_MUCH_WORK. At t=%g, nsteps %ld exceeds maxstep %" PetscInt_FMT ". Increase '-ts_max_steps <>' or modify TSSetMaxSteps()", (double)tcur, nsteps, ts->max_steps); } break; case CV_TOO_MUCH_ACC: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_TOO_MUCH_ACC"); break; case CV_ERR_FAILURE: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_ERR_FAILURE"); break; case CV_CONV_FAILURE: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_CONV_FAILURE"); break; case CV_LINIT_FAIL: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_LINIT_FAIL"); break; case CV_LSETUP_FAIL: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_LSETUP_FAIL"); break; case CV_LSOLVE_FAIL: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_LSOLVE_FAIL"); break; case CV_RHSFUNC_FAIL: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_RHSFUNC_FAIL"); break; case CV_FIRST_RHSFUNC_ERR: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_FIRST_RHSFUNC_ERR"); break; case CV_REPTD_RHSFUNC_ERR: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_REPTD_RHSFUNC_ERR"); break; case CV_UNREC_RHSFUNC_ERR: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_UNREC_RHSFUNC_ERR"); break; case CV_RTFUNC_FAIL: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, CV_RTFUNC_FAIL"); break; default: SETERRQ(PETSC_COMM_SELF, PETSC_ERR_LIB, "CVode() fails, flag %d", flag); } } /* log inner nonlinear and linear iterations */ PetscCallExternal(CVodeGetNumNonlinSolvIters, mem, &nits); PetscCallExternal(CVSpilsGetNumLinIters, mem, &lits); ts->snes_its += nits; ts->ksp_its = lits; /* copy the solution from cvode->y to cvode->update and sol */ PetscCall(VecPlaceArray(cvode->w1, y_data)); PetscCall(VecCopy(cvode->w1, cvode->update)); PetscCall(VecResetArray(cvode->w1)); PetscCall(VecCopy(cvode->update, ts->vec_sol)); ts->time_step = t - ts->ptime; ts->ptime = t; PetscCallExternal(CVodeGetNumSteps, mem, &nsteps); if (!cvode->monitorstep) ts->steps += nsteps - 1; /* TSStep() increments the step counter by one */ PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSInterpolate_Sundials(TS ts, PetscReal t, Vec X) { TS_Sundials *cvode = (TS_Sundials *)ts->data; N_Vector y; PetscScalar *x_data; PetscInt glosize, locsize; PetscFunctionBegin; /* get the vector size */ PetscCall(VecGetSize(X, &glosize)); PetscCall(VecGetLocalSize(X, &locsize)); PetscCall(VecGetArray(X, &x_data)); /* Initialize N_Vec y with x_data */ if (cvode->use_dense) { PetscMPIInt size; PetscCallMPI(MPI_Comm_size(PETSC_COMM_WORLD, &size)); PetscCheck(size == 1, PETSC_COMM_WORLD, PETSC_ERR_WRONG_MPI_SIZE, "TSSUNDIALS only supports a dense solve in the serial case"); y = N_VMake_Serial(locsize, (realtype *)x_data); } else { y = N_VMake_Parallel(cvode->comm_sundials, locsize, glosize, (realtype *)x_data); } PetscCheck(y, PETSC_COMM_SELF, PETSC_ERR_ARG_WRONGSTATE, "Interpolated y is not allocated"); PetscCallExternal(CVodeGetDky, cvode->mem, t, 0, y); PetscCall(VecRestoreArray(X, &x_data)); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSReset_Sundials(TS ts) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; PetscCall(VecDestroy(&cvode->update)); PetscCall(VecDestroy(&cvode->ydot)); PetscCall(VecDestroy(&cvode->w1)); PetscCall(VecDestroy(&cvode->w2)); if (cvode->mem) CVodeFree(&cvode->mem); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSDestroy_Sundials(TS ts) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; PetscCall(TSReset_Sundials(ts)); PetscCallMPI(MPI_Comm_free(&cvode->comm_sundials)); PetscCall(PetscFree(ts->data)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetType_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMaxl_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetLinearTolerance_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetGramSchmidtType_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetTolerance_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMinTimeStep_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMaxTimeStep_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsGetPC_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsGetIterations_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsMonitorInternalSteps_C", NULL)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetUseDense_C", NULL)); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSetUp_Sundials(TS ts) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscInt glosize, locsize, i; PetscScalar *y_data, *parray; PC pc; PCType pctype; PetscBool pcnone; PetscFunctionBegin; PetscCheck(ts->exact_final_time != TS_EXACTFINALTIME_MATCHSTEP, PETSC_COMM_SELF, PETSC_ERR_SUP, "No support for exact final time option 'MATCHSTEP' when using SUNDIALS"); /* get the vector size */ PetscCall(VecGetSize(ts->vec_sol, &glosize)); PetscCall(VecGetLocalSize(ts->vec_sol, &locsize)); /* allocate the memory for N_Vec y */ if (cvode->use_dense) { PetscMPIInt size; PetscCallMPI(MPI_Comm_size(PETSC_COMM_WORLD, &size)); PetscCheck(size == 1, PETSC_COMM_WORLD, PETSC_ERR_WRONG_MPI_SIZE, "TSSUNDIALS only supports a dense solve in the serial case"); cvode->y = N_VNew_Serial(locsize); } else { cvode->y = N_VNew_Parallel(cvode->comm_sundials, locsize, glosize); } PetscCheck(cvode->y, PETSC_COMM_SELF, PETSC_ERR_ARG_WRONGSTATE, "cvode->y is not allocated"); /* initialize N_Vec y: copy ts->vec_sol to cvode->y */ PetscCall(VecGetArray(ts->vec_sol, &parray)); y_data = (PetscScalar *)N_VGetArrayPointer(cvode->y); for (i = 0; i < locsize; i++) y_data[i] = parray[i]; PetscCall(VecRestoreArray(ts->vec_sol, NULL)); PetscCall(VecDuplicate(ts->vec_sol, &cvode->update)); PetscCall(VecDuplicate(ts->vec_sol, &cvode->ydot)); /* Create work vectors for the TSPSolve_Sundials() routine. Note these are allocated with zero space arrays because the actual array space is provided by SUNDIALS and set using VecPlaceArray(). */ PetscCall(VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts), 1, locsize, PETSC_DECIDE, NULL, &cvode->w1)); PetscCall(VecCreateMPIWithArray(PetscObjectComm((PetscObject)ts), 1, locsize, PETSC_DECIDE, NULL, &cvode->w2)); /* Call CVodeCreate to create the solver memory and the use of a Newton iteration */ cvode->mem = CVodeCreate(cvode->cvode_type, CV_NEWTON); PetscCheck(cvode->mem, PETSC_COMM_SELF, PETSC_ERR_MEM, "CVodeCreate() fails"); /* Set the pointer to user-defined data */ PetscCallExternal(CVodeSetUserData, cvode->mem, ts); /* SUNDIALS may choose to use a smaller initial step, but will never use a larger step. */ PetscCallExternal(CVodeSetInitStep, cvode->mem, (realtype)ts->time_step); if (cvode->mindt > 0) { int flag = CVodeSetMinStep(cvode->mem, (realtype)cvode->mindt); if (flag) { PetscCheck(flag != CV_MEM_NULL, PetscObjectComm((PetscObject)ts), PETSC_ERR_LIB, "CVodeSetMinStep() failed, cvode_mem pointer is NULL"); PetscCheck(flag != CV_ILL_INPUT, PetscObjectComm((PetscObject)ts), PETSC_ERR_LIB, "CVodeSetMinStep() failed, hmin is nonpositive or it exceeds the maximum allowable step size"); SETERRQ(PetscObjectComm((PetscObject)ts), PETSC_ERR_LIB, "CVodeSetMinStep() failed"); } } if (cvode->maxdt > 0) PetscCallExternal(CVodeSetMaxStep, cvode->mem, (realtype)cvode->maxdt); /* Call CVodeInit to initialize the integrator memory and specify the * user's right-hand side function in u'=f(t,u), the initial time T0, and * the initial dependent variable vector cvode->y */ PetscCallExternal(CVodeInit, cvode->mem, TSFunction_Sundials, ts->ptime, cvode->y); /* specifies scalar relative and absolute tolerances */ PetscCallExternal(CVodeSStolerances, cvode->mem, cvode->reltol, cvode->abstol); /* Specify max order of BDF / ADAMS method */ if (cvode->maxord != PETSC_DEFAULT) PetscCallExternal(CVodeSetMaxOrd, cvode->mem, cvode->maxord); /* Specify max num of steps to be taken by cvode in its attempt to reach the next output time */ PetscCallExternal(CVodeSetMaxNumSteps, cvode->mem, ts->max_steps); if (cvode->use_dense) { PetscCallExternal(CVDense, cvode->mem, locsize); } else { /* call CVSpgmr to use GMRES as the linear solver. */ /* setup the ode integrator with the given preconditioner */ PetscCall(TSSundialsGetPC(ts, &pc)); PetscCall(PCGetType(pc, &pctype)); PetscCall(PetscObjectTypeCompare((PetscObject)pc, PCNONE, &pcnone)); if (pcnone) { PetscCallExternal(CVSpgmr, cvode->mem, PREC_NONE, 0); } else { PetscCallExternal(CVSpgmr, cvode->mem, PREC_LEFT, cvode->maxl); /* Set preconditioner and solve routines Precond and PSolve, and the pointer to the user-defined block data */ PetscCallExternal(CVSpilsSetPreconditioner, cvode->mem, TSPrecond_Sundials_Private, TSPSolve_Sundials_Private); } } PetscFunctionReturn(PETSC_SUCCESS); } /* type of CVODE linear multistep method */ const char *const TSSundialsLmmTypes[] = {"", "ADAMS", "BDF", "TSSundialsLmmType", "SUNDIALS_", NULL}; /* type of G-S orthogonalization used by CVODE linear solver */ const char *const TSSundialsGramSchmidtTypes[] = {"", "MODIFIED", "CLASSICAL", "TSSundialsGramSchmidtType", "SUNDIALS_", NULL}; static PetscErrorCode TSSetFromOptions_Sundials(TS ts, PetscOptionItems PetscOptionsObject) { TS_Sundials *cvode = (TS_Sundials *)ts->data; int indx; PetscBool flag; PC pc; PetscFunctionBegin; PetscOptionsHeadBegin(PetscOptionsObject, "SUNDIALS ODE solver options"); PetscCall(PetscOptionsEList("-ts_sundials_type", "Scheme", "TSSundialsSetType", TSSundialsLmmTypes, 3, TSSundialsLmmTypes[cvode->cvode_type], &indx, &flag)); if (flag) PetscCall(TSSundialsSetType(ts, (TSSundialsLmmType)indx)); PetscCall(PetscOptionsEList("-ts_sundials_gramschmidt_type", "Type of orthogonalization", "TSSundialsSetGramSchmidtType", TSSundialsGramSchmidtTypes, 3, TSSundialsGramSchmidtTypes[cvode->gtype], &indx, &flag)); if (flag) PetscCall(TSSundialsSetGramSchmidtType(ts, (TSSundialsGramSchmidtType)indx)); PetscCall(PetscOptionsReal("-ts_sundials_atol", "Absolute tolerance for convergence", "TSSundialsSetTolerance", cvode->abstol, &cvode->abstol, NULL)); PetscCall(PetscOptionsReal("-ts_sundials_rtol", "Relative tolerance for convergence", "TSSundialsSetTolerance", cvode->reltol, &cvode->reltol, NULL)); PetscCall(PetscOptionsReal("-ts_sundials_mindt", "Minimum step size", "TSSundialsSetMinTimeStep", cvode->mindt, &cvode->mindt, NULL)); PetscCall(PetscOptionsReal("-ts_sundials_maxdt", "Maximum step size", "TSSundialsSetMaxTimeStep", cvode->maxdt, &cvode->maxdt, NULL)); PetscCall(PetscOptionsReal("-ts_sundials_linear_tolerance", "Convergence tolerance for linear solve", "TSSundialsSetLinearTolerance", cvode->linear_tol, &cvode->linear_tol, NULL)); PetscCall(PetscOptionsInt("-ts_sundials_maxord", "Max Order for BDF/Adams method", "TSSundialsSetMaxOrd", cvode->maxord, &cvode->maxord, NULL)); PetscCall(PetscOptionsInt("-ts_sundials_maxl", "Max dimension of the Krylov subspace", "TSSundialsSetMaxl", cvode->maxl, &cvode->maxl, NULL)); PetscCall(PetscOptionsBool("-ts_sundials_monitor_steps", "Monitor SUNDIALS internal steps", "TSSundialsMonitorInternalSteps", cvode->monitorstep, &cvode->monitorstep, NULL)); PetscCall(PetscOptionsBool("-ts_sundials_use_dense", "Use dense internal solver in SUNDIALS (serial only)", "TSSundialsSetUseDense", cvode->use_dense, &cvode->use_dense, NULL)); PetscOptionsHeadEnd(); PetscCall(TSSundialsGetPC(ts, &pc)); PetscCall(PCSetFromOptions(pc)); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSView_Sundials(TS ts, PetscViewer viewer) { TS_Sundials *cvode = (TS_Sundials *)ts->data; char *type; char atype[] = "Adams"; char btype[] = "BDF: backward differentiation formula"; PetscBool isascii, isstring; long int nsteps, its, nfevals, nlinsetups, nfails, itmp; PetscInt qlast, qcur; PetscReal hinused, hlast, hcur, tcur, tolsfac; PC pc; PetscFunctionBegin; if (cvode->cvode_type == SUNDIALS_ADAMS) type = atype; else type = btype; PetscCall(PetscObjectTypeCompare((PetscObject)viewer, PETSCVIEWERASCII, &isascii)); PetscCall(PetscObjectTypeCompare((PetscObject)viewer, PETSCVIEWERSTRING, &isstring)); if (isascii) { PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS integrator does not use SNES!\n")); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS integrator type %s\n", type)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS maxord %" PetscInt_FMT "\n", cvode->maxord)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS abs tol %g rel tol %g\n", (double)cvode->abstol, (double)cvode->reltol)); if (cvode->use_dense) { PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS integrator using a dense linear solve\n")); } else { PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS linear solver tolerance factor %g\n", (double)cvode->linear_tol)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS max dimension of Krylov subspace %" PetscInt_FMT "\n", cvode->maxl)); if (cvode->gtype == SUNDIALS_MODIFIED_GS) { PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS using modified Gram-Schmidt for orthogonalization in GMRES\n")); } else { PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS using unmodified (classical) Gram-Schmidt for orthogonalization in GMRES\n")); } } if (cvode->mindt > 0) PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS minimum time step %g\n", (double)cvode->mindt)); if (cvode->maxdt > 0) PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS maximum time step %g\n", (double)cvode->maxdt)); /* Outputs from CVODE, CVSPILS */ PetscCallExternal(CVodeGetTolScaleFactor, cvode->mem, &tolsfac); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS suggested factor for tolerance scaling %g\n", tolsfac)); PetscCallExternal(CVodeGetIntegratorStats, cvode->mem, &nsteps, &nfevals, &nlinsetups, &nfails, &qlast, &qcur, &hinused, &hlast, &hcur, &tcur); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS cumulative number of internal steps %ld\n", nsteps)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of calls to rhs function %ld\n", nfevals)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of calls to linear solver setup function %ld\n", nlinsetups)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of error test failures %ld\n", nfails)); PetscCallExternal(CVodeGetNonlinSolvStats, cvode->mem, &its, &nfails); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of nonlinear solver iterations %ld\n", its)); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of nonlinear convergence failure %ld\n", nfails)); if (!cvode->use_dense) { PetscCallExternal(CVSpilsGetNumLinIters, cvode->mem, &its); /* its = no. of calls to TSPrecond_Sundials() */ PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of linear iterations %ld\n", its)); PetscCallExternal(CVSpilsGetNumConvFails, cvode->mem, &itmp); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of linear convergence failures %ld\n", itmp)); PetscCall(TSSundialsGetPC(ts, &pc)); PetscCall(PCView(pc, viewer)); PetscCallExternal(CVSpilsGetNumPrecEvals, cvode->mem, &itmp); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of preconditioner evaluations %ld\n", itmp)); PetscCallExternal(CVSpilsGetNumPrecSolves, cvode->mem, &itmp); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of preconditioner solves %ld\n", itmp)); } PetscCallExternal(CVSpilsGetNumJtimesEvals, cvode->mem, &itmp); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of Jacobian-vector product evaluations %ld\n", itmp)); PetscCallExternal(CVSpilsGetNumRhsEvals, cvode->mem, &itmp); PetscCall(PetscViewerASCIIPrintf(viewer, "SUNDIALS no. of rhs calls for finite diff. Jacobian-vector evals %ld\n", itmp)); } else if (isstring) { PetscCall(PetscViewerStringSPrintf(viewer, "SUNDIALS type %s", type)); } PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetType_Sundials(TS ts, TSSundialsLmmType type) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->cvode_type = type; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetMaxl_Sundials(TS ts, PetscInt maxl) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->maxl = maxl; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetLinearTolerance_Sundials(TS ts, PetscReal tol) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->linear_tol = tol; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetGramSchmidtType_Sundials(TS ts, TSSundialsGramSchmidtType type) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->gtype = type; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetTolerance_Sundials(TS ts, PetscReal aabs, PetscReal rel) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; if (aabs != PETSC_DECIDE) cvode->abstol = aabs; if (rel != PETSC_DECIDE) cvode->reltol = rel; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetMinTimeStep_Sundials(TS ts, PetscReal mindt) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->mindt = mindt; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetMaxTimeStep_Sundials(TS ts, PetscReal maxdt) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->maxdt = maxdt; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsSetUseDense_Sundials(TS ts, PetscBool use_dense) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->use_dense = use_dense; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsGetPC_Sundials(TS ts, PC *pc) { SNES snes; KSP ksp; PetscFunctionBegin; PetscCall(TSGetSNES(ts, &snes)); PetscCall(SNESGetKSP(snes, &ksp)); PetscCall(KSPGetPC(ksp, pc)); PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsGetIterations_Sundials(TS ts, int *nonlin, int *lin) { PetscFunctionBegin; if (nonlin) *nonlin = ts->snes_its; if (lin) *lin = ts->ksp_its; PetscFunctionReturn(PETSC_SUCCESS); } static PetscErrorCode TSSundialsMonitorInternalSteps_Sundials(TS ts, PetscBool s) { TS_Sundials *cvode = (TS_Sundials *)ts->data; PetscFunctionBegin; cvode->monitorstep = s; PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsGetIterations - Gets the number of nonlinear and linear iterations used so far by `TSSUNDIALS`. Not Collective Input Parameter: . ts - the time-step context Output Parameters: + nonlin - number of nonlinear iterations - lin - number of linear iterations Level: advanced Note: These return the number since the creation of the `TS` object .seealso: [](ch_ts), `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsGetIterations(TS ts, int *nonlin, int *lin) { PetscFunctionBegin; PetscUseMethod(ts, "TSSundialsGetIterations_C", (TS, int *, int *), (ts, nonlin, lin)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetType - Sets the method that `TSSUNDIALS` will use for integration. Logically Collective Input Parameters: + ts - the time-step context - type - one of `SUNDIALS_ADAMS` or `SUNDIALS_BDF` Level: intermediate .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetType(TS ts, TSSundialsLmmType type) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsSetType_C", (TS, TSSundialsLmmType), (ts, type)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetMaxord - Sets the maximum order for BDF/Adams method used by `TSSUNDIALS`. Logically Collective Input Parameters: + ts - the time-step context - maxord - maximum order of BDF / Adams method Level: advanced .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetMaxord(TS ts, PetscInt maxord) { PetscFunctionBegin; PetscValidLogicalCollectiveInt(ts, maxord, 2); PetscTryMethod(ts, "TSSundialsSetMaxOrd_C", (TS, PetscInt), (ts, maxord)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetMaxl - Sets the dimension of the Krylov space used by GMRES in the linear solver in `TSSUNDIALS`. `TSSUNDIALS` DOES NOT use restarted GMRES so this is the maximum number of GMRES steps that will be used. Logically Collective Input Parameters: + ts - the time-step context - maxl - number of direction vectors (the dimension of Krylov subspace). Level: advanced .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetMaxl(TS ts, PetscInt maxl) { PetscFunctionBegin; PetscValidLogicalCollectiveInt(ts, maxl, 2); PetscTryMethod(ts, "TSSundialsSetMaxl_C", (TS, PetscInt), (ts, maxl)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetLinearTolerance - Sets the tolerance used to solve the linear system by `TSSUNDIALS`. Logically Collective Input Parameters: + ts - the time-step context - tol - the factor by which the tolerance on the nonlinear solver is multiplied to get the tolerance on the linear solver, .05 by default. Level: advanced .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetLinearTolerance(TS ts, PetscReal tol) { PetscFunctionBegin; PetscValidLogicalCollectiveReal(ts, tol, 2); PetscTryMethod(ts, "TSSundialsSetLinearTolerance_C", (TS, PetscReal), (ts, tol)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetGramSchmidtType - Sets type of orthogonalization used in GMRES method by `TSSUNDIALS` linear solver. Logically Collective Input Parameters: + ts - the time-step context - type - either `SUNDIALS_MODIFIED_GS` or `SUNDIALS_CLASSICAL_GS` Level: advanced .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetGramSchmidtType(TS ts, TSSundialsGramSchmidtType type) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsSetGramSchmidtType_C", (TS, TSSundialsGramSchmidtType), (ts, type)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetTolerance - Sets the absolute and relative tolerance used by `TSSUNDIALS` for error control. Logically Collective Input Parameters: + ts - the time-step context . aabs - the absolute tolerance - rel - the relative tolerance See the CVODE/SUNDIALS users manual for exact details on these parameters. Essentially these regulate the size of the error for a SINGLE timestep. Level: intermediate .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetGMRESMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsGetPC()`, `TSSetExactFinalTime()` @*/ PetscErrorCode TSSundialsSetTolerance(TS ts, PetscReal aabs, PetscReal rel) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsSetTolerance_C", (TS, PetscReal, PetscReal), (ts, aabs, rel)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsGetPC - Extract the PC context from a time-step context for `TSSUNDIALS`. Input Parameter: . ts - the time-step context Output Parameter: . pc - the preconditioner context Level: advanced .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()` @*/ PetscErrorCode TSSundialsGetPC(TS ts, PC *pc) { PetscFunctionBegin; PetscUseMethod(ts, "TSSundialsGetPC_C", (TS, PC *), (ts, pc)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetMinTimeStep - Smallest time step to be chosen by the adaptive controller. Input Parameters: + ts - the time-step context - mindt - lowest time step if positive, negative to deactivate Note: `TSSUNDIALS` will error if it is not possible to keep the estimated truncation error below the tolerance set with `TSSundialsSetTolerance()` without going below this step size. Level: beginner .seealso: [](ch_ts), `TSSundialsSetType()`, `TSSundialsSetTolerance()`, @*/ PetscErrorCode TSSundialsSetMinTimeStep(TS ts, PetscReal mindt) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsSetMinTimeStep_C", (TS, PetscReal), (ts, mindt)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetMaxTimeStep - Largest time step to be chosen by the adaptive controller. Input Parameters: + ts - the time-step context - maxdt - lowest time step if positive, negative to deactivate Level: beginner .seealso: [](ch_ts), `TSSundialsSetType()`, `TSSundialsSetTolerance()`, @*/ PetscErrorCode TSSundialsSetMaxTimeStep(TS ts, PetscReal maxdt) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsSetMaxTimeStep_C", (TS, PetscReal), (ts, maxdt)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsMonitorInternalSteps - Monitor `TSSUNDIALS` internal steps (Defaults to false). Input Parameters: + ts - the time-step context - ft - `PETSC_TRUE` if monitor, else `PETSC_FALSE` Level: beginner .seealso: [](ch_ts), `TSSundialsGetIterations()`, `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()` @*/ PetscErrorCode TSSundialsMonitorInternalSteps(TS ts, PetscBool ft) { PetscFunctionBegin; PetscTryMethod(ts, "TSSundialsMonitorInternalSteps_C", (TS, PetscBool), (ts, ft)); PetscFunctionReturn(PETSC_SUCCESS); } /*@ TSSundialsSetUseDense - Set a flag to use a dense linear solver in `TSSUNDIALS` (serial only) Logically Collective Input Parameters: + ts - the time-step context - use_dense - `PETSC_TRUE` to use the dense solver Level: advanced .seealso: [](ch_ts), `TSSUNDIALS` @*/ PetscErrorCode TSSundialsSetUseDense(TS ts, PetscBool use_dense) { PetscFunctionBegin; PetscValidLogicalCollectiveInt(ts, use_dense, 2); PetscTryMethod(ts, "TSSundialsSetUseDense_C", (TS, PetscBool), (ts, use_dense)); PetscFunctionReturn(PETSC_SUCCESS); } /*MC TSSUNDIALS - ODE solver using a very old version of the LLNL CVODE/SUNDIALS package, version 2.5 (now called SUNDIALS). Requires ./configure --download-sundials Options Database Keys: + -ts_sundials_type - . -ts_sundials_gramschmidt_type - type of orthogonalization inside GMRES . -ts_sundials_atol - Absolute tolerance for convergence . -ts_sundials_rtol - Relative tolerance for convergence . -ts_sundials_linear_tolerance - . -ts_sundials_maxl - Max dimension of the Krylov subspace . -ts_sundials_monitor_steps - Monitor SUNDIALS internal steps - -ts_sundials_use_dense - Use a dense linear solver within CVODE (serial only) Level: beginner Note: This uses its own nonlinear solver and Krylov method so PETSc `SNES` and `KSP` options do not apply, only PETSc `PC` options. .seealso: [](ch_ts), `TSCreate()`, `TS`, `TSSetType()`, `TSSundialsSetType()`, `TSSundialsSetMaxl()`, `TSSundialsSetLinearTolerance()`, `TSType`, `TSSundialsSetGramSchmidtType()`, `TSSundialsSetTolerance()`, `TSSundialsGetPC()`, `TSSundialsGetIterations()`, `TSSetExactFinalTime()` M*/ PETSC_EXTERN PetscErrorCode TSCreate_Sundials(TS ts) { TS_Sundials *cvode; PC pc; PetscFunctionBegin; ts->ops->reset = TSReset_Sundials; ts->ops->destroy = TSDestroy_Sundials; ts->ops->view = TSView_Sundials; ts->ops->setup = TSSetUp_Sundials; ts->ops->step = TSStep_Sundials; ts->ops->interpolate = TSInterpolate_Sundials; ts->ops->setfromoptions = TSSetFromOptions_Sundials; ts->default_adapt_type = TSADAPTNONE; PetscCall(PetscNew(&cvode)); ts->usessnes = PETSC_TRUE; ts->data = (void *)cvode; cvode->cvode_type = SUNDIALS_BDF; cvode->gtype = SUNDIALS_CLASSICAL_GS; cvode->maxl = 5; cvode->maxord = PETSC_DEFAULT; cvode->linear_tol = .05; cvode->monitorstep = PETSC_TRUE; cvode->use_dense = PETSC_FALSE; PetscCallMPI(MPI_Comm_dup(PetscObjectComm((PetscObject)ts), &cvode->comm_sundials)); cvode->mindt = -1.; cvode->maxdt = -1.; /* set tolerance for SUNDIALS */ cvode->reltol = 1e-6; cvode->abstol = 1e-6; /* set PCNONE as default pctype */ PetscCall(TSSundialsGetPC_Sundials(ts, &pc)); PetscCall(PCSetType(pc, PCNONE)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetType_C", TSSundialsSetType_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMaxl_C", TSSundialsSetMaxl_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetLinearTolerance_C", TSSundialsSetLinearTolerance_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetGramSchmidtType_C", TSSundialsSetGramSchmidtType_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetTolerance_C", TSSundialsSetTolerance_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMinTimeStep_C", TSSundialsSetMinTimeStep_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetMaxTimeStep_C", TSSundialsSetMaxTimeStep_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsGetPC_C", TSSundialsGetPC_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsGetIterations_C", TSSundialsGetIterations_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsMonitorInternalSteps_C", TSSundialsMonitorInternalSteps_Sundials)); PetscCall(PetscObjectComposeFunction((PetscObject)ts, "TSSundialsSetUseDense_C", TSSundialsSetUseDense_Sundials)); PetscFunctionReturn(PETSC_SUCCESS); }