int main(int argc,char **argv)
{
TS ts; /* time integrator */
TSAdapt adapt;
Vec X; /* solution vector */
Mat J; /* Jacobian matrix */
PetscInt steps,maxsteps,ncells,xs,xm,i;
PetscErrorCode ierr;
PetscReal ftime,dt;
char chemfile[PETSC_MAX_PATH_LEN] = "chem.inp",thermofile[PETSC_MAX_PATH_LEN] = "therm.dat";
struct _User user;
TSConvergedReason reason;
PetscBool showsolutions = PETSC_FALSE;
char **snames,*names;
Vec lambda; /* used with TSAdjoint for sensitivities */
ierr = PetscInitialize(&argc,&argv,(char*)0,help);if (ierr) return ierr;
ierr = PetscOptionsBegin(PETSC_COMM_WORLD,NULL,"Chemistry solver options","");CHKERRQ(ierr);
ierr = PetscOptionsString("-chem","CHEMKIN input file","",chemfile,chemfile,sizeof(chemfile),NULL);CHKERRQ(ierr);
ierr = PetscOptionsString("-thermo","NASA thermo input file","",thermofile,thermofile,sizeof(thermofile),NULL);CHKERRQ(ierr);
user.pressure = 1.01325e5; /* Pascal */
ierr = PetscOptionsReal("-pressure","Pressure of reaction [Pa]","",user.pressure,&user.pressure,NULL);CHKERRQ(ierr);
user.Tini = 1550;
ierr = PetscOptionsReal("-Tini","Initial temperature [K]","",user.Tini,&user.Tini,NULL);CHKERRQ(ierr);
user.diffus = 100;
ierr = PetscOptionsReal("-diffus","Diffusion constant","",user.diffus,&user.diffus,NULL);CHKERRQ(ierr);
ierr = PetscOptionsBool("-draw_solution","Plot the solution for each cell","",showsolutions,&showsolutions,NULL);CHKERRQ(ierr);
user.diffusion = PETSC_TRUE;
ierr = PetscOptionsBool("-diffusion","Have diffusion","",user.diffusion,&user.diffusion,NULL);CHKERRQ(ierr);
user.reactions = PETSC_TRUE;
ierr = PetscOptionsBool("-reactions","Have reactions","",user.reactions,&user.reactions,NULL);CHKERRQ(ierr);
ierr = PetscOptionsEnd();CHKERRQ(ierr);
ierr = TC_initChem(chemfile, thermofile, 0, 1.0);TCCHKERRQ(ierr);
user.Nspec = TC_getNspec();
user.Nreac = TC_getNreac();
ierr = DMDACreate1d(PETSC_COMM_WORLD,DM_BOUNDARY_PERIODIC,-1,user.Nspec+1,1,NULL,&user.dm);CHKERRQ(ierr);
ierr = DMDAGetInfo(user.dm,NULL,&ncells,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL,NULL);CHKERRQ(ierr);
user.dx = 1.0/ncells; /* Set the coordinates of the cell centers; note final ghost cell is at x coordinate 1.0 */
ierr = DMDASetUniformCoordinates(user.dm,0.0,1.0,0.0,1.0,0.0,1.0);CHKERRQ(ierr);
/* set the names of each field in the DMDA based on the species name */
ierr = PetscMalloc1((user.Nspec+1)*LENGTHOFSPECNAME,&names);CHKERRQ(ierr);
ierr = PetscStrcpy(names,"Temp");CHKERRQ(ierr);
TC_getSnames(user.Nspec,names+LENGTHOFSPECNAME);CHKERRQ(ierr);
ierr = PetscMalloc1((user.Nspec+2),&snames);CHKERRQ(ierr);
for (i=0; i<user.Nspec+1; i++) snames[i] = names+i*LENGTHOFSPECNAME;
snames[user.Nspec+1] = NULL;
ierr = DMDASetFieldNames(user.dm,(const char * const *)snames);CHKERRQ(ierr);
ierr = PetscFree(snames);CHKERRQ(ierr);
ierr = PetscFree(names);CHKERRQ(ierr);
ierr = DMCreateMatrix(user.dm,&J);CHKERRQ(ierr);
ierr = DMCreateGlobalVector(user.dm,&X);CHKERRQ(ierr);
ierr = PetscMalloc3(user.Nspec+1,&user.tchemwork,PetscSqr(user.Nspec+1),&user.Jdense,user.Nspec+1,&user.rows);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Create timestepping solver context
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSCreate(PETSC_COMM_WORLD,&ts);CHKERRQ(ierr);
ierr = TSSetDM(ts,user.dm);CHKERRQ(ierr);
ierr = TSSetType(ts,TSARKIMEX);CHKERRQ(ierr);
ierr = TSARKIMEXSetFullyImplicit(ts,PETSC_TRUE);CHKERRQ(ierr);
ierr = TSARKIMEXSetType(ts,TSARKIMEX4);CHKERRQ(ierr);
ierr = TSSetRHSFunction(ts,NULL,FormRHSFunction,&user);CHKERRQ(ierr);
ierr = TSSetRHSJacobian(ts,J,J,FormRHSJacobian,&user);CHKERRQ(ierr);
ftime = 1.0;
maxsteps = 10000;
ierr = TSSetDuration(ts,maxsteps,ftime);CHKERRQ(ierr);
ierr = TSSetExactFinalTime(ts,TS_EXACTFINALTIME_STEPOVER);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set initial conditions
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = FormInitialSolution(ts,X,&user);CHKERRQ(ierr);
ierr = TSSetSolution(ts,X);CHKERRQ(ierr);
dt = 1e-10; /* Initial time step */
ierr = TSSetInitialTimeStep(ts,0.0,dt);CHKERRQ(ierr);
ierr = TSGetAdapt(ts,&adapt);CHKERRQ(ierr);
ierr = TSAdaptSetStepLimits(adapt,1e-12,1e-4);CHKERRQ(ierr); /* Also available with -ts_adapt_dt_min/-ts_adapt_dt_max */
ierr = TSSetMaxSNESFailures(ts,-1);CHKERRQ(ierr); /* Retry step an unlimited number of times */
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Pass information to graphical monitoring routine
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
if (showsolutions) {
ierr = DMDAGetCorners(user.dm,&xs,NULL,NULL,&xm,NULL,NULL);CHKERRQ(ierr);
for (i=xs;i<xs+xm;i++) {
ierr = MonitorCell(ts,&user,i);CHKERRQ(ierr);
}
}
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set runtime options
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSetFromOptions(ts);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set final conditions for sensitivities
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = DMCreateGlobalVector(user.dm,&lambda);CHKERRQ(ierr);
ierr = TSSetCostGradients(ts,1,&lambda,NULL);CHKERRQ(ierr);
ierr = VecSetValue(lambda,0,1.0,INSERT_VALUES);CHKERRQ(ierr);
ierr = VecAssemblyBegin(lambda);CHKERRQ(ierr);
ierr = VecAssemblyEnd(lambda);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Solve ODE
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSolve(ts,X);CHKERRQ(ierr);
ierr = TSGetSolveTime(ts,&ftime);CHKERRQ(ierr);
ierr = TSGetTimeStepNumber(ts,&steps);CHKERRQ(ierr);
ierr = TSGetConvergedReason(ts,&reason);CHKERRQ(ierr);
ierr = PetscPrintf(PETSC_COMM_WORLD,"%s at time %g after %D steps\n",TSConvergedReasons[reason],(double)ftime,steps);CHKERRQ(ierr);
{
Vec max;
const char * const *names;
PetscInt i;
const PetscReal *bmax;
ierr = TSMonitorEnvelopeGetBounds(ts,&max,NULL);CHKERRQ(ierr);
if (max) {
ierr = TSMonitorLGGetVariableNames(ts,&names);CHKERRQ(ierr);
if (names) {
ierr = VecGetArrayRead(max,&bmax);CHKERRQ(ierr);
ierr = PetscPrintf(PETSC_COMM_SELF,"Species - maximum mass fraction\n");CHKERRQ(ierr);
for (i=1; i<user.Nspec; i++) {
if (bmax[i] > .01) {ierr = PetscPrintf(PETSC_COMM_SELF,"%s %g\n",names[i],bmax[i]);CHKERRQ(ierr);}
}
ierr = VecRestoreArrayRead(max,&bmax);CHKERRQ(ierr);
}
}
}
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Free work space.
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
TC_reset();
ierr = DMDestroy(&user.dm);CHKERRQ(ierr);
ierr = MatDestroy(&J);CHKERRQ(ierr);
ierr = VecDestroy(&X);CHKERRQ(ierr);
ierr = VecDestroy(&lambda);CHKERRQ(ierr);
ierr = TSDestroy(&ts);CHKERRQ(ierr);
ierr = PetscFree3(user.tchemwork,user.Jdense,user.rows);CHKERRQ(ierr);
ierr = PetscFinalize();
return ierr;
}
int main(int argc,char **argv)
{
TS ts; /* ODE integrator */
Vec U; /* solution */
Mat A; /* Jacobian matrix */
PetscErrorCode ierr;
PetscMPIInt size;
PetscInt n = 4;
AppCtx ctx;
PetscScalar *u;
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Initialize program
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
PetscInitialize(&argc,&argv,(char*)0,help);
ierr = MPI_Comm_size(PETSC_COMM_WORLD,&size);CHKERRQ(ierr);
if (size > 1) SETERRQ(PETSC_COMM_WORLD,PETSC_ERR_SUP,"Only for sequential runs");
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Create necessary matrix and vectors
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = MatCreate(PETSC_COMM_WORLD,&A);CHKERRQ(ierr);
ierr = MatSetSizes(A,n,n,PETSC_DETERMINE,PETSC_DETERMINE);CHKERRQ(ierr);
ierr = MatSetFromOptions(A);CHKERRQ(ierr);
ierr = MatSetUp(A);CHKERRQ(ierr);
ierr = MatCreateVecs(A,&U,NULL);CHKERRQ(ierr);
ctx.k1 = 1.0e-5;
ctx.k2 = 1.0e5;
ctx.k3 = 1.0e-16;
ctx.sigma2 = 1.0e6;
ierr = VecDuplicate(U,&ctx.initialsolution);CHKERRQ(ierr);
ierr = VecGetArray(ctx.initialsolution,&u);CHKERRQ(ierr);
u[0] = 0.0;
u[1] = 1.3e8;
u[2] = 5.0e11;
u[3] = 8.0e11;
ierr = VecRestoreArray(ctx.initialsolution,&u);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Create timestepping solver context
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSCreate(PETSC_COMM_WORLD,&ts);CHKERRQ(ierr);
ierr = TSSetProblemType(ts,TS_NONLINEAR);CHKERRQ(ierr);
ierr = TSSetType(ts,TSROSW);CHKERRQ(ierr);
ierr = TSSetIFunction(ts,NULL,(TSIFunction) IFunction,&ctx);CHKERRQ(ierr);
ierr = TSSetIJacobian(ts,A,A,(TSIJacobian)IJacobian,&ctx);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set initial conditions
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = Solution(ts,0,U,&ctx);CHKERRQ(ierr);
ierr = TSSetInitialTimeStep(ts,4.0*3600,1.0);CHKERRQ(ierr);
ierr = TSSetSolution(ts,U);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set solver options
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSetDuration(ts,1000000,518400.0);CHKERRQ(ierr);
ierr = TSSetMaxStepRejections(ts,100);CHKERRQ(ierr);
ierr = TSSetMaxSNESFailures(ts,-1);CHKERRQ(ierr); /* unlimited */
ierr = TSSetFromOptions(ts);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Solve nonlinear system
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSolve(ts,U);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Free work space. All PETSc objects should be destroyed when they
are no longer needed.
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = VecDestroy(&ctx.initialsolution);CHKERRQ(ierr);
ierr = MatDestroy(&A);CHKERRQ(ierr);
ierr = VecDestroy(&U);CHKERRQ(ierr);
ierr = TSDestroy(&ts);CHKERRQ(ierr);
ierr = PetscFinalize();
PetscFunctionReturn(0);
}
int main(int argc,char **argv)
{
PetscFunctionList plist = NULL;
char pname[256];
TS ts; /* nonlinear solver */
Vec x,r; /* solution, residual vectors */
Mat A; /* Jacobian matrix */
Problem problem;
PetscBool use_monitor;
PetscInt steps,maxsteps = 1000,nonlinits,linits,snesfails,rejects;
PetscReal ftime;
MonitorCtx mon;
PetscErrorCode ierr;
PetscMPIInt size;
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Initialize program
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
PetscInitialize(&argc,&argv,(char*)0,help);
ierr = MPI_Comm_size(PETSC_COMM_WORLD,&size);CHKERRQ(ierr);
if (size > 1) SETERRQ(PETSC_COMM_WORLD,PETSC_ERR_SUP,"Only for sequential runs");
/* Register the available problems */
ierr = PetscFunctionListAdd(&plist,"rober",&RoberCreate);CHKERRQ(ierr);
ierr = PetscFunctionListAdd(&plist,"ce",&CECreate);CHKERRQ(ierr);
ierr = PetscFunctionListAdd(&plist,"orego",&OregoCreate);CHKERRQ(ierr);
ierr = PetscStrcpy(pname,"ce");CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set runtime options
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = PetscOptionsBegin(PETSC_COMM_WORLD,NULL,"Timestepping benchmark options","");CHKERRQ(ierr);
{
ierr = PetscOptionsFList("-problem_type","Name of problem to run","",plist,pname,pname,sizeof(pname),NULL);CHKERRQ(ierr);
use_monitor = PETSC_FALSE;
ierr = PetscOptionsBool("-monitor_error","Display errors relative to exact solutions","",use_monitor,&use_monitor,NULL);CHKERRQ(ierr);
}
ierr = PetscOptionsEnd();CHKERRQ(ierr);
/* Create the new problem */
ierr = PetscNew(&problem);CHKERRQ(ierr);
problem->comm = MPI_COMM_WORLD;
{
PetscErrorCode (*pcreate)(Problem);
ierr = PetscFunctionListFind(plist,pname,&pcreate);CHKERRQ(ierr);
if (!pcreate) SETERRQ1(PETSC_COMM_SELF,1,"No problem '%s'",pname);
ierr = (*pcreate)(problem);CHKERRQ(ierr);
}
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Create necessary matrix and vectors
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = MatCreate(PETSC_COMM_WORLD,&A);CHKERRQ(ierr);
ierr = MatSetSizes(A,problem->n,problem->n,PETSC_DETERMINE,PETSC_DETERMINE);CHKERRQ(ierr);
ierr = MatSetFromOptions(A);CHKERRQ(ierr);
ierr = MatSetUp(A);CHKERRQ(ierr);
ierr = MatGetVecs(A,&x,NULL);CHKERRQ(ierr);
ierr = VecDuplicate(x,&r);CHKERRQ(ierr);
mon.comm = PETSC_COMM_WORLD;
mon.problem = problem;
ierr = VecDuplicate(x,&mon.x);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Create timestepping solver context
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSCreate(PETSC_COMM_WORLD,&ts);CHKERRQ(ierr);
ierr = TSSetProblemType(ts,TS_NONLINEAR);CHKERRQ(ierr);
ierr = TSSetType(ts,TSROSW);CHKERRQ(ierr); /* Rosenbrock-W */
ierr = TSSetIFunction(ts,NULL,problem->function,problem->data);CHKERRQ(ierr);
ierr = TSSetIJacobian(ts,A,A,problem->jacobian,problem->data);CHKERRQ(ierr);
ierr = TSSetDuration(ts,maxsteps,problem->final_time);CHKERRQ(ierr);
ierr = TSSetMaxStepRejections(ts,10);CHKERRQ(ierr);
ierr = TSSetMaxSNESFailures(ts,-1);CHKERRQ(ierr); /* unlimited */
if (use_monitor) {
ierr = TSMonitorSet(ts,&MonitorError,&mon,NULL);CHKERRQ(ierr);
}
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set initial conditions
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = (*problem->solution)(0,x,problem->data);CHKERRQ(ierr);
ierr = TSSetInitialTimeStep(ts,0.0,.001);CHKERRQ(ierr);
ierr = TSSetSolution(ts,x);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Set runtime options
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSetFromOptions(ts);CHKERRQ(ierr);
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Solve nonlinear system
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = TSSolve(ts,x);CHKERRQ(ierr);
ierr = TSGetSolveTime(ts,&ftime);CHKERRQ(ierr);
ierr = TSGetTimeStepNumber(ts,&steps);CHKERRQ(ierr);
ierr = TSGetSNESFailures(ts,&snesfails);CHKERRQ(ierr);
ierr = TSGetStepRejections(ts,&rejects);CHKERRQ(ierr);
ierr = TSGetSNESIterations(ts,&nonlinits);CHKERRQ(ierr);
ierr = TSGetKSPIterations(ts,&linits);CHKERRQ(ierr);
ierr = PetscPrintf(PETSC_COMM_WORLD,"steps %D (%D rejected, %D SNES fails), ftime %G, nonlinits %D, linits %D\n",steps,rejects,snesfails,ftime,nonlinits,linits);CHKERRQ(ierr);
if (problem->hasexact) {
ierr = MonitorError(ts,steps,ftime,x,&mon);CHKERRQ(ierr);
}
/* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
Free work space. All PETSc objects should be destroyed when they
are no longer needed.
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
ierr = MatDestroy(&A);CHKERRQ(ierr);
ierr = VecDestroy(&x);CHKERRQ(ierr);
ierr = VecDestroy(&r);CHKERRQ(ierr);
ierr = VecDestroy(&mon.x);CHKERRQ(ierr);
ierr = TSDestroy(&ts);CHKERRQ(ierr);
if (problem->destroy) {
ierr = (*problem->destroy)(problem);CHKERRQ(ierr);
}
ierr = PetscFree(problem);CHKERRQ(ierr);
ierr = PetscFunctionListDestroy(&plist);CHKERRQ(ierr);
ierr = PetscFinalize();
PetscFunctionReturn(0);
}
void PETSC_STDCALL tssetmaxsnesfailures_(TS ts,PetscInt *fails, int *__ierr ){
*__ierr = TSSetMaxSNESFailures(
(TS)PetscToPointer((ts) ),*fails);
}
