/* ode-initval2/rk4imp.c * * Copyright (C) 2009, 2010 Tuomo Keskitalo * * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License as published by * the Free Software Foundation; either version 3 of the License, or (at * your option) any later version. * * This program is distributed in the hope that it will be useful, but * WITHOUT ANY WARRANTY; without even the implied warranty of * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU * General Public License for more details. * * You should have received a copy of the GNU General Public License * along with this program; if not, write to the Free Software * Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA. */ /* Based on rk4imp.c by Gerard Jungman */ /* Gaussian implicit 4th order Runge-Kutta method. Error estimation is carried out by the step doubling method. */ /* References: Ascher, U.M., Petzold, L.R., Computer methods for ordinary differential and differential-algebraic equations, SIAM, Philadelphia, 1998. ISBN 0898714125, 9780898714128 */ #include #include #include #include #include #include #include "odeiv_util.h" #include "rksubs.c" #include "modnewton1.c" /* Stage of method */ #define RK4IMP_STAGE 2 typedef struct { gsl_matrix *A; /* Runge-Kutta coefficients */ double *y_onestep; /* Result with one step */ double *y_twostep; /* Result with two half steps */ double *ytmp; /* Temporary work space */ double *y_save; /* Backup space */ double *YZ; /* Runge-Kutta points */ double *fYZ; /* Derivatives at YZ */ gsl_matrix *dfdy; /* Jacobian matrix */ double *dfdt; /* time derivative of f */ modnewton1_state_t *esol; /* nonlinear equation solver */ double *errlev; /* desired error level of y */ const gsl_odeiv2_driver *driver; /* pointer to driver object */ } rk4imp_state_t; static void * rk4imp_alloc (size_t dim) { rk4imp_state_t *state = (rk4imp_state_t *) malloc (sizeof (rk4imp_state_t)); if (state == 0) { GSL_ERROR_NULL ("failed to allocate space for rk4imp_state", GSL_ENOMEM); } state->A = gsl_matrix_alloc (RK4IMP_STAGE, RK4IMP_STAGE); if (state->A == 0) { free (state); GSL_ERROR_NULL ("failed to allocate space for A", GSL_ENOMEM); } state->y_onestep = (double *) malloc (dim * sizeof (double)); if (state->y_onestep == 0) { gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for y_onestep", GSL_ENOMEM); } state->y_twostep = (double *) malloc (dim * sizeof (double)); if (state->y_twostep == 0) { free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for y_onestep", GSL_ENOMEM); } state->ytmp = (double *) malloc (dim * sizeof (double)); if (state->ytmp == 0) { free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for ytmp", GSL_ENOMEM); } state->y_save = (double *) malloc (dim * sizeof (double)); if (state->y_save == 0) { free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for y_save", GSL_ENOMEM); } state->YZ = (double *) malloc (dim * RK4IMP_STAGE * sizeof (double)); if (state->YZ == 0) { free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for YZ", GSL_ENOMEM); } state->fYZ = (double *) malloc (dim * RK4IMP_STAGE * sizeof (double)); if (state->fYZ == 0) { free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for fYZ", GSL_ENOMEM); } state->dfdt = (double *) malloc (dim * sizeof (double)); if (state->dfdt == 0) { free (state->fYZ); free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for dfdt", GSL_ENOMEM); } state->dfdy = gsl_matrix_alloc (dim, dim); if (state->dfdy == 0) { free (state->dfdt); free (state->fYZ); free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for dfdy", GSL_ENOMEM); } state->esol = modnewton1_alloc (dim, RK4IMP_STAGE); if (state->esol == 0) { gsl_matrix_free (state->dfdy); free (state->dfdt); free (state->fYZ); free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for esol", GSL_ENOMEM); } state->errlev = (double *) malloc (dim * sizeof (double)); if (state->errlev == 0) { modnewton1_free (state->esol); gsl_matrix_free (state->dfdy); free (state->dfdt); free (state->fYZ); free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); GSL_ERROR_NULL ("failed to allocate space for errlev", GSL_ENOMEM); } state->driver = NULL; return state; } static int rk4imp_apply (void *vstate, size_t dim, double t, double h, double y[], double yerr[], const double dydt_in[], double dydt_out[], const gsl_odeiv2_system * sys) { /* Makes a Gaussian implicit 4th order Runge-Kutta with step size h and estimates the local error of the step. */ rk4imp_state_t *state = (rk4imp_state_t *) vstate; double *const y_onestep = state->y_onestep; double *const y_twostep = state->y_twostep; double *const ytmp = state->ytmp; double *const y_save = state->y_save; double *const YZ = state->YZ; /* Runge-Kutta points */ double *const fYZ = state->fYZ; gsl_matrix *const dfdy = state->dfdy; double *const dfdt = state->dfdt; double *const errlev = state->errlev; const modnewton1_state_t *esol = state->esol; /* Runge-Kutta coefficients */ gsl_matrix *A = state->A; const double b[] = { 0.5, 0.5 }; const double c[] = { (3 - sqrt (3)) / 6, (3 + sqrt (3)) / 6 }; gsl_matrix_set (A, 0, 0, 1.0 / 4); gsl_matrix_set (A, 0, 1, (3 - 2 * sqrt (3)) / 12); gsl_matrix_set (A, 1, 0, (3 + 2 * sqrt (3)) / 12); gsl_matrix_set (A, 1, 1, 1.0 / 4); if (esol == NULL) { GSL_ERROR ("no non-linear equation solver speficied", GSL_EINVAL); } /* Get desired error levels via gsl_odeiv2_control object through driver object, which is a requirement for this stepper. */ if (state->driver == NULL) { return GSL_EFAULT; } else { size_t i; for (i = 0; i < dim; i++) { if (dydt_in != NULL) { gsl_odeiv2_control_errlevel (state->driver->c, y[i], dydt_in[i], h, i, &errlev[i]); } else { gsl_odeiv2_control_errlevel (state->driver->c, y[i], 0.0, h, i, &errlev[i]); } } } /* Evaluate Jacobian for modnewton1 */ { int s = GSL_ODEIV_JA_EVAL (sys, t, y, dfdy->data, dfdt); if (s != GSL_SUCCESS) { return s; } } /* Calculate a single step with size h */ { int s = modnewton1_init ((void *) esol, A, h, dfdy, sys); if (s != GSL_SUCCESS) { return s; } } { int s = modnewton1_solve ((void *) esol, A, c, t, h, y, sys, YZ, errlev); if (s != GSL_SUCCESS) { return s; } } { size_t j; for (j = 0; j < RK4IMP_STAGE; j++) { int s = GSL_ODEIV_FN_EVAL (sys, t + c[j] * h, &YZ[j * dim], &fYZ[j * dim]); if (s != GSL_SUCCESS) { return s; } } } { int s = rksubs (y_onestep, h, y, fYZ, b, RK4IMP_STAGE, dim); if (s != GSL_SUCCESS) { return s; } } /* Error estimation by step doubling */ { int s = modnewton1_init ((void *) esol, A, h / 2.0, dfdy, sys); if (s != GSL_SUCCESS) { return s; } } /* 1st half step */ { int s = modnewton1_solve ((void *) esol, A, c, t, h / 2.0, y, sys, YZ, errlev); if (s != GSL_SUCCESS) { return s; } } { size_t j; for (j = 0; j < RK4IMP_STAGE; j++) { int s = GSL_ODEIV_FN_EVAL (sys, t + c[j] * h / 2.0, &YZ[j * dim], &fYZ[j * dim]); if (s != GSL_SUCCESS) { return s; } } } { int s = rksubs (ytmp, h / 2.0, y, fYZ, b, RK4IMP_STAGE, dim); if (s != GSL_SUCCESS) return s; } /* Save original y values in case of error */ DBL_MEMCPY (y_save, y, dim); /* 2nd half step */ { int s = modnewton1_solve ((void *) esol, A, c, t + h / 2.0, h / 2.0, ytmp, sys, YZ, errlev); if (s != GSL_SUCCESS) { return s; } } { size_t j; for (j = 0; j < RK4IMP_STAGE; j++) { int s = GSL_ODEIV_FN_EVAL (sys, t + h / 2.0 + c[j] * h / 2.0, &YZ[j * dim], &fYZ[j * dim]); if (s != GSL_SUCCESS) { return s; } } } { int s = rksubs (y_twostep, h / 2.0, ytmp, fYZ, b, RK4IMP_STAGE, dim); if (s != GSL_SUCCESS) { DBL_MEMCPY (y, y_save, dim); return s; } } /* Note: rk4imp returns y using the results from two half steps instead of the single step since the results are freely available and more precise. */ DBL_MEMCPY (y, y_twostep, dim); /* Error estimation */ { size_t i; for (i = 0; i < dim; i++) { yerr[i] = ODEIV_ERR_SAFETY * 0.5 * fabs (y_twostep[i] - y_onestep[i]) / 15.0; } } /* Derivatives at output */ if (dydt_out != NULL) { int s = GSL_ODEIV_FN_EVAL (sys, t + h, y, dydt_out); if (s != GSL_SUCCESS) { /* Restore original values */ DBL_MEMCPY (y, y_save, dim); return s; } } return GSL_SUCCESS; } static int rk4imp_set_driver (void *vstate, const gsl_odeiv2_driver * d) { rk4imp_state_t *state = (rk4imp_state_t *) vstate; state->driver = d; return GSL_SUCCESS; } static int rk4imp_reset (void *vstate, size_t dim) { rk4imp_state_t *state = (rk4imp_state_t *) vstate; DBL_ZERO_MEMSET (state->y_onestep, dim); DBL_ZERO_MEMSET (state->y_twostep, dim); DBL_ZERO_MEMSET (state->ytmp, dim); DBL_ZERO_MEMSET (state->y_save, dim); DBL_ZERO_MEMSET (state->YZ, dim * RK4IMP_STAGE); DBL_ZERO_MEMSET (state->fYZ, dim * RK4IMP_STAGE); return GSL_SUCCESS; } static unsigned int rk4imp_order (void *vstate) { rk4imp_state_t *state = (rk4imp_state_t *) vstate; state = 0; /* prevent warnings about unused parameters */ return 4; } static void rk4imp_free (void *vstate) { rk4imp_state_t *state = (rk4imp_state_t *) vstate; free (state->errlev); modnewton1_free (state->esol); gsl_matrix_free (state->dfdy); free (state->dfdt); free (state->fYZ); free (state->YZ); free (state->y_save); free (state->ytmp); free (state->y_twostep); free (state->y_onestep); gsl_matrix_free (state->A); free (state); } static const gsl_odeiv2_step_type rk4imp_type = { "rk4imp", /* name */ 1, /* can use dydt_in? */ 1, /* gives exact dydt_out? */ &rk4imp_alloc, &rk4imp_apply, &rk4imp_set_driver, &rk4imp_reset, &rk4imp_order, &rk4imp_free }; const gsl_odeiv2_step_type *gsl_odeiv2_step_rk4imp = &rk4imp_type;