/* _____ ___ ____ ____ |_ _/ _ \| _ \ / ___| | || | | | |_) | | | || |_| | _ <| |___ |_| \___/|_| \_\\____| */ #include "UserData.h" #include "solution.h" #include "residue.h" #include "macros.h" #include "timing.h" #include #include #include #include //#include static int check_flag(void *flagvalue, const char *funcname, int opt); void freeAtLast(void* mem, N_Vector *y, N_Vector *ydot, N_Vector *res, N_Vector *id, N_Vector *atolv, N_Vector *constraints,UserData data); int main(){ FILE *input;input=fopen("input.dat","r"); UserData data;data=NULL;data=allocateUserData(input); fclose(input); data->clockStart=get_wall_time(); if(data==NULL){ printf("check input file!\n"); freeUserData(data); return(-1); } long int ier,mu,ml,count,netf,ncfn,njevals,nrevals; realtype tNow,*atolvdata,*constraintsdata,finalTime,tolsfac; N_Vector y,ydot,id,res,atolv,constraints; y=ydot=id=res=atolv=constraints=NULL; ier=allocateSolution(data->neq,data->nThreads,&y,&ydot,&id,&res,&atolv,&constraints); ier=setAlgebraicVariables(&id,data); ier=setInitialCondition(&y,&ydot,data); if(ier==-1)return(-1); tNow=data->tNow; finalTime=data->finalTime; double* ydata; double* ydotdata; ydata = N_VGetArrayPointer_OpenMP(y); ydotdata = N_VGetArrayPointer_OpenMP(ydot); void *mem;mem=NULL;mem = IDACreate(); ier = IDASetUserData(mem, data); ier = IDASetId(mem, id); ier = IDAInit(mem, residue, tNow, y, ydot); // Atol array atolvdata = N_VGetArrayPointer_OpenMP(atolv); for (size_t i = 1; i <=data->npts; i++) { atolT(i) = data->temperatureTolerance; for (size_t k = 1; k <=data->nsp; k++) { if(k!=data->k_bath){ atolY(i,k) = data->massFractionTolerance; } else{ atolY(i,k) = data->bathGasTolerance; } } atolR(i) = data->radiusTolerance; atolP(i) = data->pressureTolerance; } ier = IDASVtolerances(mem, data->relativeTolerance, atolv); mu = 2*data->nvar; ml = mu; SUNMatrix A; A=NULL; A=SUNBandMatrix(data->neq,mu,ml,mu+ml); SUNLinearSolver LS; LS=NULL; //LS=SUNBandLinearSolver(y,A); LS=SUNLapackBand(y,A); ier=IDADlsSetLinearSolver(mem,LS,A); //ier = IDABand(mem, data->neq, mu, ml); constraintsdata = N_VGetArrayPointer_OpenMP(constraints); if(data->setConstraints){ for (size_t i = 1; i <=data->npts; i++) { for (size_t k = 1; k <=data->nsp; k++) { constraintsY(i,k) = ONE; } } ier=IDASetConstraints(mem, constraints); } ier = IDASetSuppressAlg(mem, data->suppressAlg); if(check_flag(&ier, "IDASetSuppressAlg", 1)) return(1); //ier= IDASetMaxNumStepsIC(mem, 1); //ier= IDASetMaxNumJacsIC(mem,8); //ier= IDASetMaxNumItersIC(mem,100); //ier= IDASetMaxBacksIC(mem,2000); //ier = IDASetLineSearchOffIC(mem,SUNTRUE); if(!data->dryRun){ printf("Calculating Initial Conditions:\n"); printf("Cross your fingers...\n"); ier = IDACalcIC(mem, IDA_YA_YDP_INIT, 1e-05*finalTime); //If at first IDACalcIC doesn't succeed, try, try, try again: for (int i = 0; i < 10; i++) { ier = IDACalcIC(mem, IDA_YA_YDP_INIT, (1e-01+pow(10,i)*finalTime)); if(ier==0){ break; } } //...or else cry again :( if(check_flag(&ier, "IDACalcIC", 1)){ freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(-1); }else{ printf("Initial (Consistent) Conditions Calculated!\n"); } ier = IDASetInitStep(mem,1e-12); } printSpaceTimeHeader(data); printGlobalHeader(data); printSpaceTimeOutput(tNow, &y, data->output, data); printSpaceTimeOutput(tNow, &y, data->gridOutput, data); if(!data->dryRun){ count=0; double dt=1e-08; double t1=0.0e0; double xOld=0.0e0; double x=0.0e0; double dx=0.0e0; double dxMin=1.0e0; double dxRatio=dx/dxMin; double writeTime=tNow; int move=0; int kcur=0; if(data->adaptiveGrid){ dxMin=data->grid->leastMove; //xOld=maxCurvPosition(ydata, data->nt, data->nvar, // data->grid->x, data->npts); xOld=isothermPosition(ydata, data->isotherm, data->nt, data->nvar, data->grid->x, data->npts); } while (tNow<=finalTime) { t1=tNow; ier = IDASolve(mem, finalTime, &tNow, y, ydot, IDA_ONE_STEP); if(check_flag(&ier, "IDASolve", 1)){ freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(-1); } dt=tNow-t1; ier = IDAGetCurrentOrder(mem, &kcur); if(data->adaptiveGrid==1 && data->moveGrid==1){ //x=maxCurvPosition(ydata, data->nt, data->nvar, // data->grid->x, data->npts); x=isothermPosition(ydata, data->isotherm, data->nt, data->nvar, data->grid->x, data->npts); //x=maxGradPosition(ydata, data->nt, data->nvar, // data->grid->x, data->npts); dx=x-xOld; if(dx*dxMin>0.0e0){ move=1; }else{ move=-1; } //if(fabs(dx)>=dxMin && x+(double)(move)*0.5e0*dxMin<=1.0e0){ dxRatio=fabs(dx/dxMin); if(dxRatio>=1.0e0 && dxRatio<=2.0e0){ printf("Regridding!\n"); data->regrid=1; //printSpaceTimeOutput(tNow, &y, data->gridOutput, data); ier=reGrid(data->grid, x+(double)(move)*0.5e0*dxMin); if(ier==-1){ freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(-1); } updateSolution(ydata, ydotdata, data->nvar, data->grid->xOld,data->grid->x,data->npts); storeGrid(data->grid->x,data->grid->xOld,data->npts); xOld=x; printf("Regrid Complete! Restarting Problem at %15.6e s\n",tNow); ier = IDAReInit(mem, tNow, y, ydot); if(check_flag(&ier, "IDAReInit", 1)){ freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(-1); } ier = IDASetInitStep(mem,1e-01*dt); printf("Reinitialized! Calculating Initial Conditions:\n"); printf("Cross your fingers...\n"); ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+1e-01*dt); if(check_flag(&ier, "IDACalcIC", 1)){ ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+1e+01*dt); } //Every once in a while, for reasons //that befuddle this mathematically //lesser author, IDACalcIC fails. Here, //I desperately try to make it converge //again by sampling increasingly larger //time-steps: for (int i = 0; i < 10; i++) { ier = IDACalcIC(mem, IDA_YA_YDP_INIT, tNow+(1e-01+pow(10,i)*dt)); if(ier==0){ break; } } //Failure :( Back to the drawing board: if(check_flag(&ier, "IDACalcIC", 1)){ freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(-1); } printf("Initial (Consistent) Conditions Calculated!\n"); printf("------------------------------------------\n\n"); //if(data->writeEveryRegrid){ } } if(count%data->nSaves==0 && !data->writeEveryRegrid){ printSpaceTimeOutput(tNow, &y, data->output, data); //if(data->writeRates){ // printSpaceTimeRates(tNow, ydot, data); //} } /*Print global variables only if time-step is of high order!*/ if(data->nTimeSteps==0){ data->flamePosition[0]=0.0e0; data->flamePosition[1]=0.0e0; data->flameTime[0]=tNow; data->flameTime[1]=tNow; } if(kcur>=2 ){ printGlobalVariables(tNow,&y,&ydot,data); } if(tNow>writeTime){ writeTime+=data->writeDeltaT; printSpaceTimeOutput(tNow, &y, data->output, data); FILE* fp; fp=fopen("restart.bin","w"); writeRestart(tNow, &y, &ydot, fp, data); fclose(fp); } ier = IDAGetNumErrTestFails(mem, &netf); ier = IDAGetNumNonlinSolvConvFails(mem, &ncfn); ier = IDADlsGetNumJacEvals(mem, &njevals); ier = IDADlsGetNumResEvals(mem, &nrevals); printf("etf = %ld ," "nlsf= %ld ," "J=%ld ," "R=%ld ," "o=%d ,",netf, ncfn, njevals, nrevals, kcur); printf("Time=%15.6e s,",tNow); printf("frac: %15.6e\n",dxRatio); count++; data->nTimeSteps=count; } } SUNLinSolFree(LS); SUNMatDestroy(A); freeAtLast(mem,&y,&ydot,&res,&id,&atolv,&constraints,data); return(0); } void freeAtLast(void* mem, N_Vector *y, N_Vector *ydot, N_Vector *res, N_Vector *id, N_Vector *atolv, N_Vector *constraints,UserData data){ IDAFree(&mem); freeSolution(y,ydot,res,id,atolv,constraints); freeUserData(data); } static int check_flag(void *flagvalue, const char *funcname, int opt) { int *errflag; /* Check if SUNDIALS function returned NULL pointer - no memory allocated */ if (opt == 0 && flagvalue == NULL) { fprintf(stderr, "\nSUNDIALS_ERROR: %s() failed - returned NULL pointer\n\n", funcname); return(1); } /* Check if flag < 0 */ else if (opt == 1) { errflag = (int *) flagvalue; if (*errflag < 0) { fprintf(stderr, "\nSUNDIALS_ERROR: %s() failed with flag = %d\n\n", funcname, *errflag); return(1); } } /* Check if function returned NULL pointer - no memory allocated */ else if (opt == 2 && flagvalue == NULL) { fprintf(stderr, "\nMEMORY_ERROR: %s() failed - returned NULL pointer\n\n", funcname); return(1); } return(0); }