int main(int argc,char **argv)
{
PetscErrorCode ierr; /* used to check for functions returning nonzeros */
Vec x, f; /* solution, function */
Mat J; /* Jacobian matrix */
Tao tao; /* Tao solver context */
PetscInt i; /* iteration information */
PetscReal hist[100],resid[100];
PetscInt lits[100];
AppCtx user; /* user-defined work context */
PetscInitialize(&argc,&argv,(char *)0,help);
/* Allocate vectors */
ierr = VecCreateSeq(MPI_COMM_SELF,NPARAMETERS,&x);CHKERRQ(ierr);
ierr = VecCreateSeq(MPI_COMM_SELF,NOBSERVATIONS,&f);CHKERRQ(ierr);
/* Create the Jacobian matrix. */
ierr = MatCreateSeqDense(MPI_COMM_SELF,NOBSERVATIONS,NPARAMETERS,NULL,&J);CHKERRQ(ierr);
for (i=0;i<NOBSERVATIONS;i++) user.idm[i] = i;
for (i=0;i<NPARAMETERS;i++) user.idn[i] = i;
/* Create TAO solver and set desired solution method */
ierr = TaoCreate(PETSC_COMM_SELF,&tao);CHKERRQ(ierr);
ierr = TaoSetType(tao,TAOPOUNDERS);CHKERRQ(ierr);
/* Set the function and Jacobian routines. */
ierr = InitializeData(&user);CHKERRQ(ierr);
ierr = FormStartingPoint(x);CHKERRQ(ierr);
ierr = TaoSetInitialVector(tao,x);CHKERRQ(ierr);
ierr = TaoSetSeparableObjectiveRoutine(tao,f,EvaluateFunction,(void*)&user);CHKERRQ(ierr);
ierr = TaoSetJacobianRoutine(tao, J, J, EvaluateJacobian, (void*)&user);CHKERRQ(ierr);
/* Check for any TAO command line arguments */
ierr = TaoSetFromOptions(tao);CHKERRQ(ierr);
ierr = TaoSetConvergenceHistory(tao,hist,resid,0,lits,100,PETSC_TRUE);CHKERRQ(ierr);
/* Perform the Solve */
ierr = TaoSolve(tao);CHKERRQ(ierr);
ierr = TaoView(tao,PETSC_VIEWER_STDOUT_SELF);CHKERRQ(ierr);
/* Free TAO data structures */
ierr = TaoDestroy(&tao);CHKERRQ(ierr);
/* Free PETSc data structures */
ierr = VecDestroy(&x);CHKERRQ(ierr);
ierr = VecDestroy(&f);CHKERRQ(ierr);
ierr = MatDestroy(&J);CHKERRQ(ierr);
PetscFinalize();
return 0;
}
/*@
TaoSolve - Solves an unconstrained minimization problem. Call TaoSolve()
after calling TaoCreate() and optional routines of the form TaoSetXXX().
Collective on TAO_SOLVER
Input Parameters:
. tao - the TAO_SOLVER solver context
Notes:
By default the TAO solvers use an initial starting guess of zero. To
provide an alternative initial guess, the user must call TaoAppSetInitialSolutionVec()
before calling TaoSolve().
Level: advanced
.keywords: Solve
.seealso: TaoCreate(), TaoDestroy()
@*/
int TaoSolve(TAO_SOLVER tao)
{
int info;
TaoVec *xx;
TaoFunctionBegin;
TaoValidHeaderSpecific(tao,TAO_COOKIE,1);
info = TaoGetSolution(tao,&xx);CHKERRQ(info);
info = tao->taoappl->InitializeVariables(xx);CHKERRQ(info);
info = TaoSetUp(tao);CHKERRQ(info);
info = TaoSetDefaultStatistics(tao); CHKERRQ(info);
if (tao->solve){ info = (*(tao)->solve)(tao,tao->data);CHKERRQ(info); }
if (tao->viewtao) { info = TaoView(tao);CHKERRQ(info); }
if (tao->viewksptao) { info = TaoViewLinearSolver(tao);CHKERRQ(info); }
TaoFunctionReturn(0);
}
int main (int argc, char **argv)
{
double startTime;
int info; /* used to check for functions returning nonzeros */
GAVec ga_x; /* solution vector */
TAO_SOLVER tao; /* TAO_SOLVER solver context */
TAO_GA_APPLICATION taoapp; /* TAO application context */
TaoTerminateReason reason;
AppCtx user; /* user-defined application context */
/*initialize GA and MPI */
int heap = 400000, stack = 400000;
MPI_Init (&argc, &argv); /* initialize MPI */
GA_Initialize (); /* initialize GA */
user.me = GA_Nodeid ();
user.nproc = GA_Nnodes ();
startTime = MPI_Wtime();
if (user.me == 0) {
if (GA_Uses_fapi ())
GA_Error ("Program runs with C array API only", 0);
printf ("Using %ld processes\n", (long) user.nproc);
fflush (stdout);
}
heap /= user.nproc;
stack /= user.nproc;
if (!MA_init (MT_F_DBL, stack, heap))
GA_Error ("MA_init failed", stack + heap); /* initialize memory allocator */
/* Initialize TAO */
TaoInitialize (&argc, &argv, (char *) 0, help);
/* Initialize problem parameters */
user.ndim = NDIM;
user.natoms = NATOMS;
user.BlockSize = BLOCKSIZE;
/* Allocate vectors for the solution and gradient */
int dims[2];
dims[0] = user.ndim*user.natoms;
ga_x = NGA_Create (C_DBL, 1, dims, "GA_X", NULL);
if (!ga_x) GA_Error ("lennard-jones.main::NGA_Create ga_x", ga_x);
/* Set up structures for data distribution */
info = SetupBlocks(&user); CHKERRQ(info);
/* The TAO code begins here */
/* Create TAO solver with desired solution method */
info = TaoCreate (MPI_COMM_WORLD, "tao_lmvm", &tao); CHKERRQ(info);
info = TaoGAApplicationCreate (MPI_COMM_WORLD, &taoapp); CHKERRQ(info);
/* Set the initial solution */
info = InitializeVariables(ga_x, &user); CHKERRQ(info);
info = TaoGAAppSetInitialSolutionVec(taoapp, ga_x); CHKERRQ(info);
/* Set routines for function, gradient */
info = TaoGAAppSetObjectiveAndGradientRoutine (taoapp, FormFunctionGradient,
(void *) &user); CHKERRQ(info);
/* Check for TAO command line options */
info = TaoSetFromOptions (tao); CHKERRQ(info);
/* SOLVE THE APPLICATION */
info = TaoSolveGAApplication (taoapp, tao); CHKERRQ(info);
/* To View TAO solver information use */
info = TaoView(tao); CHKERRQ(info);
/* Get termination information */
info = TaoGetTerminationReason (tao, &reason);
if(info) GA_Error("lennard-jones.main.TaoGetTerminationReason",info);
if (user.me == 0) {
if (reason <= 0)
printf("Try a different TAO method, adjust some parameters, or check the function evaluation routines\n");
printf("WALL TIME TAKEN = %lf\n", MPI_Wtime()-startTime);
/*output the solutions */
printf ("The solution is :\n");
}
GA_Print (ga_x);
/* Free TAO data structures */
info = TaoDestroy (tao); CHKERRQ(info);
info = TaoGAAppDestroy (taoapp); CHKERRQ(info);
/* Free GA data structures */
GA_Destroy (ga_x);
if (!MA_pop_stack(user.memHandle))
ga_error("Main::MA_pop_stack for memHandle failed",0);
/* Finalize TAO, GA, and MPI */
TaoFinalize ();
GA_Terminate ();
MPI_Finalize ();
return 0;
}
int main (int argc, char **argv)
{
double startTime;
int info; /* used to check for functions returning nonzeros */
GAVec ga_x; /* solution vector */
TAO_SOLVER tao; /* TAO_SOLVER solver context */
TAO_GA_APPLICATION taoapp; /* TAO application context */
TaoTerminateReason reason;
AppCtx user; /* user-defined application context */
/*initialize GA and MPI */
int heap = 4000, stack = 4000;
MPI_Init (&argc, &argv); /* initialize MPI */
GA_Initialize (); /* initialize GA */
if (!MA_init(MT_F_DBL, stack, heap))
GA_Error((char*)"MA_init failed", stack+heap);
/* Initialize TAO */
TaoInitialize (&argc, &argv, (char *) 0, help);
startTime = MPI_Wtime();
/* Initialize problem parameters */
user.natoms = NATOMS;
user.ndim = NDIM;
user.n = user.natoms*user.ndim;
/* Create working space */
if (MA_push_stack(C_DBL, 2*user.n, "Vector buffers", &user.memHandle) == MA_FALSE)
GA_Error((char*)"MAIN::ma_alloc_get failed",2*user.n);
/* Allocate Global Array vector for the solution */
int dims[2];
dims[0] = user.n;
ga_x = NGA_Create (C_DBL, 1, dims, (char*)"GA_X", NULL);
if (!ga_x) GA_Error ((char*)"lennard-jones.main::NGA_Create ga_x", ga_x);
/* The TAO code begins here */
/* Create TAO solver with desired solution method */
info = TaoCreate (MPI_COMM_WORLD, "tao_cg", &tao); CHKERRQ(info);
info = TaoGAApplicationCreate (MPI_COMM_WORLD, &taoapp); CHKERRQ(info);
/* Set initial vector */
info = InitializeVariables(ga_x, &user); CHKERRQ(info);
info = TaoGAAppSetInitialSolutionVec(taoapp, ga_x); CHKERRQ(info);
/* Set routines for function, gradient */
info = TaoGAAppSetObjectiveAndGradientRoutine (taoapp, FormFunctionGradient, (void *) &user);
CHKERRQ(info);
/* Check for TAO command line options */
info = TaoSetFromOptions (tao); CHKERRQ(info);
/* SOLVE THE APPLICATION */
info = TaoSolveGAApplication (taoapp, tao); CHKERRQ(info);
/* To View TAO solver information use */
info = TaoView(tao); CHKERRQ(info);
/* Get termination information */
info = TaoGetTerminationReason (tao, &reason); CHKERRQ(info);
if (reason <= 0)
printf("Try a different TAO method, adjust some parameters, or check the function evaluation routines\n");
printf("TIME TAKEN = %lf\n", MPI_Wtime()-startTime);
/*output the solutions */
printf ("The solution is :\n");
GA_Print (ga_x);
/* Free TAO data structures */
info = TaoDestroy (tao); CHKERRQ(info);
info = TaoGAAppDestroy (taoapp); CHKERRQ(info);
/* Free GA data structures */
GA_Destroy (ga_x);
if (!MA_pop_stack(user.memHandle))
GA_Error((char*)"Main::MA_pop_stack failed",0);
/* Finalize TAO, GA, and MPI */
TaoFinalize ();
GA_Terminate ();
MPI_Finalize ();
return 0;
}
