int main(int argc, char *argv[]) { void *cvode_mem; UserData data; realtype t, tout; N_Vector y; int iout, flag; realtype pbar[NS]; int is; N_Vector *yS; booleantype sensi, err_con; int sensi_meth; cvode_mem = NULL; data = NULL; y = NULL; yS = NULL; /* Process arguments */ ProcessArgs(argc, argv, &sensi, &sensi_meth, &err_con); /* User data structure */ data = (UserData) malloc(sizeof *data); if (check_flag((void *)data, "malloc", 2)) return(1); data->p[0] = RCONST(0.04); data->p[1] = RCONST(1.0e4); data->p[2] = RCONST(3.0e7); /* Initial conditions */ y = N_VNew_Serial(NEQ); if (check_flag((void *)y, "N_VNew_Serial", 0)) return(1); Ith(y,1) = Y1; Ith(y,2) = Y2; Ith(y,3) = Y3; /* Create CVODES object */ cvode_mem = CVodeCreate(CV_BDF, CV_NEWTON); if (check_flag((void *)cvode_mem, "CVodeCreate", 0)) return(1); /* Allocate space for CVODES */ flag = CVodeMalloc(cvode_mem, f, T0, y, CV_WF, 0.0, NULL); if (check_flag(&flag, "CVodeMalloc", 1)) return(1); /* Use private function to compute error weights */ flag = CVodeSetEwtFn(cvode_mem, ewt, NULL); if (check_flag(&flag, "CVodeSetEwtFn", 1)) return(1); /* Attach user data */ flag = CVodeSetFdata(cvode_mem, data); if (check_flag(&flag, "CVodeSetFdata", 1)) return(1); /* Attach linear solver */ flag = CVDense(cvode_mem, NEQ); if (check_flag(&flag, "CVDense", 1)) return(1); flag = CVDenseSetJacFn(cvode_mem, Jac, data); if (check_flag(&flag, "CVDenseSetJacFn", 1)) return(1); printf("\n3-species chemical kinetics problem\n"); /* Sensitivity-related settings */ if (sensi) { pbar[0] = data->p[0]; pbar[1] = data->p[1]; pbar[2] = data->p[2]; yS = N_VNewVectorArray_Serial(NS, NEQ); if (check_flag((void *)yS, "N_VNewVectorArray_Serial", 0)) return(1); for (is=0;is<NS;is++) N_VConst(ZERO, yS[is]); flag = CVodeSensMalloc(cvode_mem, NS, sensi_meth, yS); if(check_flag(&flag, "CVodeSensMalloc", 1)) return(1); flag = CVodeSetSensRhs1Fn(cvode_mem, fS); if (check_flag(&flag, "CVodeSetSensRhs1Fn", 1)) return(1); flag = CVodeSetSensErrCon(cvode_mem, err_con); if (check_flag(&flag, "CVodeSetSensFdata", 1)) return(1); flag = CVodeSetSensFdata(cvode_mem, data); if (check_flag(&flag, "CVodeSetSensFdata", 1)) return(1); flag = CVodeSetSensParams(cvode_mem, NULL, pbar, NULL); if (check_flag(&flag, "CVodeSetSensParams", 1)) return(1); printf("Sensitivity: YES "); if(sensi_meth == CV_SIMULTANEOUS) printf("( SIMULTANEOUS +"); else if(sensi_meth == CV_STAGGERED) printf("( STAGGERED +"); else printf("( STAGGERED1 +"); if(err_con) printf(" FULL ERROR CONTROL )"); else printf(" PARTIAL ERROR CONTROL )"); } else { printf("Sensitivity: NO "); } /* In loop over output points, call CVode, print results, test for error */ printf("\n\n"); printf("==================================================="); printf("============================\n"); printf(" T Q H NST y1"); printf(" y2 y3 \n"); printf("==================================================="); printf("============================\n"); for (iout=1, tout=T1; iout <= NOUT; iout++, tout *= TMULT) { flag = CVode(cvode_mem, tout, y, &t, CV_NORMAL); if (check_flag(&flag, "CVode", 1)) break; PrintOutput(cvode_mem, t, y); if (sensi) { flag = CVodeGetSens(cvode_mem, t, yS); if (check_flag(&flag, "CVodeGetSens", 1)) break; PrintOutputS(yS); } printf("-------------------------------------------------"); printf("------------------------------\n"); } /* Print final statistics */ PrintFinalStats(cvode_mem, sensi); /* Free memory */ N_VDestroy_Serial(y); /* Free y vector */ if (sensi) { N_VDestroyVectorArray_Serial(yS, NS); /* Free yS vector */ } free(data); /* Free user data */ CVodeFree(cvode_mem); /* Free CVODES memory */ return(0); }
int main() { realtype t, tout; N_Vector y; void *cvode_mem; int flag, flagr, iout; int rootsfound[2]; y = NULL; cvode_mem = NULL; /* Create serial vector of length NEQ for I.C. */ y = N_VNew_Serial(NEQ); if (check_flag((void *)y, "N_VNew_Serial", 0)) return(1); /* Initialize y */ Ith(y,1) = Y1; Ith(y,2) = Y2; Ith(y,3) = Y3; /* Call CVodeCreate to create the solver memory: CV_BDF specifies the Backward Differentiation Formula CV_NEWTON specifies a Newton iteration A pointer to the integrator problem memory is returned and stored in cvode_mem. */ cvode_mem = CVodeCreate(CV_BDF, CV_NEWTON); if (check_flag((void *)cvode_mem, "CVodeCreate", 0)) return(1); /* Call CVodeMalloc to initialize the integrator memory: cvode_mem is the pointer to the integrator memory returned by CVodeCreate f is the user's right hand side function in y'=f(t,y) T0 is the initial time y is the initial dependent variable vector CV_WF specifies scalar relative and vector absolute tolerances reltol not needed (pass 0.0) abstol not needed (pass NULL) */ flag = CVodeMalloc(cvode_mem, f, T0, y, CV_WF, 0.0, NULL); if (check_flag(&flag, "CVodeMalloc", 1)) return(1); /* Use private function to compute error weights */ flag = CVodeSetEwtFn(cvode_mem, ewt, NULL); if (check_flag(&flag, "CVodeSetEwtFn", 1)) return(1); /* Call CVodeRootInit to specify the root function g with 2 components */ flag = CVodeRootInit(cvode_mem, 2, g, NULL); if (check_flag(&flag, "CVodeRootInit", 1)) return(1); /* Call CVDense to specify the CVDENSE dense linear solver */ flag = CVDense(cvode_mem, NEQ); if (check_flag(&flag, "CVDense", 1)) return(1); /* Set the Jacobian routine to Jac (user-supplied) */ flag = CVDenseSetJacFn(cvode_mem, Jac, NULL); if (check_flag(&flag, "CVDenseSetJacFn", 1)) return(1); /* In loop, call CVode, print results, and test for error. Break out of loop when NOUT preset output times have been reached. */ printf(" \n3-species kinetics problem\n\n"); iout = 0; tout = T1; while(1) { flag = CVode(cvode_mem, tout, y, &t, CV_NORMAL); PrintOutput(t, Ith(y,1), Ith(y,2), Ith(y,3)); if (flag == CV_ROOT_RETURN) { flagr = CVodeGetRootInfo(cvode_mem, rootsfound); check_flag(&flagr, "CVodeGetRootInfo", 1); PrintRootInfo(rootsfound[0],rootsfound[1]); } if (check_flag(&flag, "CVode", 1)) break; if (flag == CV_SUCCESS) { iout++; tout *= TMULT; } if (iout == NOUT) break; } /* Print some final statistics */ PrintFinalStats(cvode_mem); /* Free y vector */ N_VDestroy_Serial(y); /* Free integrator memory */ CVodeFree(&cvode_mem); return(0); }