/* -----------------------------------------------------------------
 * Programmer(s): Chris Nguyen @ LLNL
 *                based on idaHeat2D_bnd.c and idaRoberts_klu.c
 * -----------------------------------------------------------------
 * SUNDIALS Copyright Start
 * Copyright (c) 2002-2023, Lawrence Livermore National Security
 * and Southern Methodist University.
 * All rights reserved.
 *
 * See the top-level LICENSE and NOTICE files for details.
 *
 * SPDX-License-Identifier: BSD-3-Clause
 * SUNDIALS Copyright End
 * -----------------------------------------------------------------
 * Example problem for IDA: 2D heat equation, serial, sparse.
 *
 * This example solves a discretized 2D heat equation problem.
 * This version uses the KLU solver and IDACalcIC.
 *
 * The DAE system solved is a spatial discretization of the PDE
 *          du/dt = d^2u/dx^2 + d^2u/dy^2
 * on the unit square. The boundary condition is u = 0 on all edges.
 * Initial conditions are given by u = 16 x (1 - x) y (1 - y).
 * The PDE is treated with central differences on a uniform MGRID x MGRID
 * grid. The values of u at the interior points satisfy ODEs, and
 * equations u = 0 at the boundaries are appended, to form a DAE
 * system of size N = MGRID^2. Here MGRID = 10.
 *
 * The system is solved with IDA using the sparse linear system
 * solver and a user supplied Jacobian.
 * For purposes of illustration,
 * IDACalcIC is called to compute correct values at the boundary,
 * given incorrect values as input initial guesses. The constraints
 * u >= 0 are posed for all components. Output is taken at
 * t = 0, .01, .02, .04, ..., 10.24. (Output at t = 0 is for
 * IDACalcIC cost statistics only.)
 * -----------------------------------------------------------------*/

#include <stdio.h>
#include <stdlib.h>
#include <math.h>

#include <sundials/sundials_types.h>    /* defs. of realtype, sunindextype      */
#if SUNDIALS_VERSION_MAJOR >= 7
#define realtype sunrealtype
#define RCONST SUN_RCONST
#define SUNCTX_COMM 0
#else
#define SUNCTX_COMM NULL
#endif
#include <ida/ida.h>                    /* prototypes for IDA fcts., consts.    */
#include <nvector/nvector_serial.h>     /* access to serial N_Vector            */
#include <sunmatrix/sunmatrix_sparse.h> /* access to sparse SUNMatrix           */
#include <sunlinsol/sunlinsol_klu.h>    /* access to KLU linear solver          */
#include <sundials/sundials_math.h>     /* defs. of SUNRabs, SUNRexp, etc.      */

/* Problem Constants */

#define NOUT 11
#define MGRID SIZE
#define NEQ MGRID *MGRID
#define ZERO RCONST(0.0)
#define ONE RCONST(1.0)
#define TWO RCONST(2.0)
#define BVAL RCONST(0.0)
#define TOTAL 4 * MGRID + 8 * (MGRID - 2) + (MGRID - 4) * (MGRID + 4 * (MGRID - 2)) /* total num of nonzero elements */

/* Type: UserData */

typedef struct
{
  sunindextype mm;
  realtype dx;
  realtype coeff;
} *UserData;

/* Prototypes of functions called by IDA */

static int heatres(realtype tres, N_Vector uu, N_Vector up, N_Vector resval, void *user_data);

static int jacHeat(realtype tt, realtype cj,
                   N_Vector yy, N_Vector yp, N_Vector resvec,
                   SUNMatrix JJ, void *user_data,
                   N_Vector tempv1, N_Vector tempv2, N_Vector tempv3);

/* Exact same setup as jacHeat. Function needed for special case MGRID=3  */
static int jacHeat3(realtype tt, realtype cj,
                    N_Vector yy, N_Vector yp, N_Vector resvec,
                    SUNMatrix JJ, void *user_data,
                    N_Vector tempv1, N_Vector tempv2, N_Vector tempv3);

/* Prototypes of private functions */

static void PrintHeader(realtype rtol, realtype atol);
static void PrintOutput(void *mem, realtype t, N_Vector u);
static int SetInitialProfile(UserData data, N_Vector uu, N_Vector up,
                             N_Vector id, N_Vector res);

static int check_retval(void *returnvalue, const char *funcname, int opt);

/*
 *--------------------------------------------------------------------
 * MAIN PROGRAM
 *--------------------------------------------------------------------
 */

int FUNC_NAME(void)
{
  void *mem;
  UserData data;
  N_Vector uu, up, constraints, id, res;
  int retval, iout;
  long int netf, ncfn;
  realtype rtol, atol, t0, t1, tout, tret;
  SUNMatrix A;
  SUNLinearSolver LS;
  sunindextype nnz;
  SUNContext ctx;

  mem = NULL;
  data = NULL;
  uu = up = constraints = id = res = NULL;
  A = NULL;
  LS = NULL;

  /* Create the SUNDIALS context object for this simulation */
  retval = SUNContext_Create(SUNCTX_COMM, &ctx);
  if (check_retval(&retval, "SUNContext_Create", 1))
    return 1;

  /* Create vectors uu, up, res, constraints, id. */
  uu = N_VNew_Serial(NEQ, ctx);
  if (check_retval((void *)uu, "N_VNew_Serial", 0))
    return (1);
  up = N_VClone(uu);
  if (check_retval((void *)up, "N_VNew_Serial", 0))
    return (1);
  res = N_VClone(uu);
  if (check_retval((void *)res, "N_VNew_Serial", 0))
    return (1);
  constraints = N_VClone(uu);
  if (check_retval((void *)constraints, "N_VNew_Serial", 0))
    return (1);
  id = N_VClone(uu);
  if (check_retval((void *)id, "N_VNew_Serial", 0))
    return (1);

  /* Create and load problem data block. */
  data = (UserData)malloc(sizeof *data);
  if (check_retval((void *)data, "malloc", 2))
    return (1);
  data->mm = MGRID;
  data->dx = ONE / (MGRID - ONE);
  data->coeff = ONE / ((data->dx) * (data->dx));

  /* Initialize uu, up, id. */
  SetInitialProfile(data, uu, up, id, res);

  /* Set constraints to all 1's for nonnegative solution values. */
  N_VConst(ONE, constraints);

  /* Set remaining input parameters. */
  t0 = ZERO;
  t1 = RCONST(0.01);
  rtol = ZERO;
  atol = RCONST(1.0e-8);

  /* Call IDACreate and IDAMalloc to initialize solution */
  mem = IDACreate(ctx);
  if (check_retval((void *)mem, "IDACreate", 0))
    return (1);

  retval = IDASetUserData(mem, data);
  if (check_retval(&retval, "IDASetUserData", 1))
    return (1);

  /* Set which components are algebraic or differential */
  retval = IDASetId(mem, id);
  if (check_retval(&retval, "IDASetId", 1))
    return (1);

  retval = IDASetConstraints(mem, constraints);
  if (check_retval(&retval, "IDASetConstraints", 1))
    return (1);
  N_VDestroy(constraints);

  retval = IDAInit(mem, heatres, t0, uu, up);
  if (check_retval(&retval, "IDAInit", 1))
    return (1);

  retval = IDASStolerances(mem, rtol, atol);
  if (check_retval(&retval, "IDASStolerances", 1))
    return (1);

  /* Create sparse SUNMatrix for use in linear solves */
  nnz = NEQ * NEQ;
  A = SUNSparseMatrix(NEQ, NEQ, nnz, CSC_MAT, ctx);
  if (check_retval((void *)A, "SUNSparseMtarix", 0))
    return (1);

  /* Create KLU SUNLinearSolver object */
  LS = SUNLinSol_KLU(uu, A, ctx);
  if (check_retval((void *)LS, "SUNLinSol_KLU", 0))
    return (1);

  /* Attach the matrix and linear solver */
  retval = IDASetLinearSolver(mem, LS, A);
  if (check_retval(&retval, "IDASetLinearSolver", 1))
    return (1);

  /* Set the user-supplied Jacobian routine */
  if (MGRID >= 4)
  {
    retval = IDASetJacFn(mem, jacHeat);
  }
  else if (MGRID == 3)
  {
    retval = IDASetJacFn(mem, jacHeat3);
  }
  else
  {
    /* MGRID<=2 is pure boundary points, nothing to solve */
    printf("MGRID size is too small to run.\n");
    return (1);
  }
  if (check_retval(&retval, "IDASetJacFn", 1))
    return (1);

  /* Call IDACalcIC to correct the initial values. */

  retval = IDACalcIC(mem, IDA_YA_YDP_INIT, t1);
  if (check_retval(&retval, "IDACalcIC", 1))
    return (1);

  /* Print output heading. */
  /*PrintHeader(rtol, atol);*/

  /*PrintOutput(mem, t0, uu);*/

  /* Loop over output times, call IDASolve, and print results. */

  for (tout = t1, iout = 1; iout <= NOUT; iout++, tout *= TWO)
  {

    retval = IDASolve(mem, tout, &tret, uu, up, IDA_NORMAL);
    if (check_retval(&retval, "IDASolve", 1))
      return (1);

    /*PrintOutput(mem, tret, uu);*/
  }

  /* Print remaining counters and free memory. */
  retval = IDAGetNumErrTestFails(mem, &netf);
  check_retval(&retval, "IDAGetNumErrTestFails", 1);
  retval = IDAGetNumNonlinSolvConvFails(mem, &ncfn);
  check_retval(&retval, "IDAGetNumNonlinSolvConvFails", 1);
  /*printf("\n netf = %ld,   ncfn = %ld \n", netf, ncfn);*/

  IDAFree(&mem);
  SUNLinSolFree(LS);
  SUNMatDestroy(A);
  N_VDestroy(uu);
  N_VDestroy(up);
  N_VDestroy(id);
  N_VDestroy(res);
  free(data);
  SUNContext_Free(&ctx);

  return (0);
}

/*
 *--------------------------------------------------------------------
 * FUNCTIONS CALLED BY IDA
 *--------------------------------------------------------------------
 */

/*
 * heatres: heat equation system residual function
 * This uses 5-point central differencing on the interior points, and
 * includes algebraic equations for the boundary values.
 * So for each interior point, the residual component has the form
 *    res_i = u'_i - (central difference)_i
 * while for each boundary point, it is res_i = u_i.
 */

int heatres(realtype, N_Vector uu, N_Vector up, N_Vector resval,
            void *user_data)
{
  sunindextype mm, i, j, offset, loc;
  realtype *uv, *upv, *resv, coeff;
  UserData data;

  uv = N_VGetArrayPointer(uu);
  upv = N_VGetArrayPointer(up);
  resv = N_VGetArrayPointer(resval);

  data = (UserData)user_data;
  mm = data->mm;
  coeff = data->coeff;

  /* Initialize resval to uu, to take care of boundary equations. */
  N_VScale(ZERO, uu, resval);

  /* Loop over interior points; set res = up - (central difference). */
  for (j = 1; j < mm - 1; j++)
  {
    offset = mm * j;
    for (i = 1; i < mm - 1; i++)
    {
      loc = offset + i;
      resv[loc] = upv[loc] - coeff *
                                 (uv[loc - 1] + uv[loc + 1] + uv[loc - mm] + uv[loc + mm] - RCONST(4.0) * uv[loc]);
    }
  }

  return (0);
}

/* Jacobian matrix setup for MGRID=3  */
int jacHeat3(realtype, realtype cj,
             N_Vector, N_Vector, N_Vector,
             SUNMatrix JJ, void *,
             N_Vector, N_Vector, N_Vector)
{
  realtype dx = ONE / (MGRID - ONE);
  realtype beta = RCONST(4.0) / (dx * dx) + cj;

  sunindextype *colptrs = SUNSparseMatrix_IndexPointers(JJ);
  sunindextype *rowvals = SUNSparseMatrix_IndexValues(JJ);
  realtype *data = SUNSparseMatrix_Data(JJ);

  SUNMatZero(JJ);

  /*
   * set up number of elements in each column
   */
  colptrs[0] = 0;
  colptrs[1] = 1;
  colptrs[2] = 3;
  colptrs[3] = 4;
  colptrs[4] = 6;
  colptrs[5] = 7;
  colptrs[6] = 9;
  colptrs[7] = 10;
  colptrs[8] = 12;
  colptrs[9] = 13;

  /*
   * set up data and row values stored
   */

  data[0] = ONE;
  rowvals[0] = 0;
  data[1] = ONE;
  rowvals[1] = 1;
  data[2] = -ONE / (dx * dx);
  rowvals[2] = 4;
  data[3] = ONE;
  rowvals[3] = 2;
  data[4] = ONE;
  rowvals[4] = 3;
  data[5] = -ONE / (dx * dx);
  rowvals[5] = 4;
  data[6] = beta;
  rowvals[6] = 4;
  data[7] = -ONE / (dx * dx);
  rowvals[7] = 4;
  data[8] = ONE;
  rowvals[8] = 5;
  data[9] = ONE;
  rowvals[9] = 6;
  data[10] = -ONE / (dx * dx);
  rowvals[10] = 4;
  data[11] = ONE;
  rowvals[11] = 7;
  data[12] = ONE;
  rowvals[12] = 8;

  return (0);
}

/* Jacobian matrix setup for MGRID>=4  */
int jacHeat(realtype, realtype cj,
            N_Vector, N_Vector, N_Vector,
            SUNMatrix JJ, void *,
            N_Vector, N_Vector, N_Vector)
{
  realtype dx = ONE / (MGRID - ONE);
  realtype beta = RCONST(4.0) / (dx * dx) + cj;
  int i, j, repeat = 0;

  sunindextype *colptrs = SUNSparseMatrix_IndexPointers(JJ);
  sunindextype *rowvals = SUNSparseMatrix_IndexValues(JJ);
  realtype *data = SUNSparseMatrix_Data(JJ);

  SUNMatZero(JJ);

  /*
   *-----------------------------------------------
   * set up number of elements in each column
   *-----------------------------------------------
   */

  /**** first column block ****/
  colptrs[0] = 0;
  colptrs[1] = 1;
  /* count by twos in the middle  */
  for (i = 2; i < MGRID; i++)
    colptrs[i] = (colptrs[i - 1]) + 2;
  colptrs[MGRID] = 2 * MGRID - 2;

  /**** second column block ****/
  colptrs[MGRID + 1] = 2 * MGRID;
  colptrs[MGRID + 2] = 2 * MGRID + 3;
  /* count by fours in the middle */
  for (i = 0; i < MGRID - 4; i++)
    colptrs[MGRID + 3 + i] = (colptrs[MGRID + 3 + i - 1]) + 4;
  colptrs[2 * MGRID - 1] = 2 * MGRID + 4 * (MGRID - 2) - 2;
  colptrs[2 * MGRID] = 2 * MGRID + 4 * (MGRID - 2);

  /**** repeated (MGRID-4 times) middle column blocks ****/
  for (i = 0; i < MGRID - 4; i++)
  {
    colptrs[2 * MGRID + 1 + repeat] = (colptrs[2 * MGRID + 1 + repeat - 1]) + 2;
    colptrs[2 * MGRID + 1 + repeat + 1] = (colptrs[2 * MGRID + 1 + repeat]) + 4;

    /* count by fives in the middle */
    for (j = 0; j < MGRID - 4; j++)
      colptrs[2 * MGRID + 1 + repeat + 2 + j] =
          (colptrs[2 * MGRID + 1 + repeat + 1 + j]) + 5;

    colptrs[2 * MGRID + 1 + repeat + (MGRID - 4) + 2] = (colptrs[2 * MGRID + 1 + repeat + (MGRID - 4) + 1]) + 4;
    colptrs[2 * MGRID + 1 + repeat + (MGRID - 4) + 3] = (colptrs[2 * MGRID + 1 + repeat + (MGRID - 4) + 2]) + 2;

    repeat += MGRID; /* shift that accounts for accumulated number of columns */
  }

  /**** last-1 column block ****/
  colptrs[MGRID * MGRID - 2 * MGRID + 1] = TOTAL - 2 * MGRID - 4 * (MGRID - 2) + 2;
  colptrs[MGRID * MGRID - 2 * MGRID + 2] = TOTAL - 2 * MGRID - 4 * (MGRID - 2) + 5;
  /* count by fours in the middle */
  for (i = 0; i < MGRID - 4; i++)
    colptrs[MGRID * MGRID - 2 * MGRID + 3 + i] =
        (colptrs[MGRID * MGRID - 2 * MGRID + 3 + i - 1]) + 4;
  colptrs[MGRID * MGRID - MGRID - 1] = TOTAL - 2 * MGRID;
  colptrs[MGRID * MGRID - MGRID] = TOTAL - 2 * MGRID + 2;

  /**** last column block ****/
  colptrs[MGRID * MGRID - MGRID + 1] = TOTAL - MGRID - (MGRID - 2) + 1;
  /* count by twos in the middle */
  for (i = 0; i < MGRID - 2; i++)
    colptrs[MGRID * MGRID - MGRID + 2 + i] =
        (colptrs[MGRID * MGRID - MGRID + 2 + i - 1]) + 2;
  colptrs[MGRID * MGRID - 1] = TOTAL - 1;
  colptrs[MGRID * MGRID] = TOTAL;

  /*
   *-----------------------------------------------
   * set up data stored
   *-----------------------------------------------
   */

  /**** first column block ****/
  data[0] = ONE;
  /* alternating pattern in data, separate loop for each pattern  */
  for (i = 1; i < MGRID + (MGRID - 2); i += 2)
    data[i] = ONE;
  for (i = 2; i < MGRID + (MGRID - 2) - 1; i += 2)
    data[i] = -ONE / (dx * dx);

  /**** second column block ****/
  data[MGRID + MGRID - 2] = ONE;
  data[MGRID + MGRID - 1] = -ONE / (dx * dx);
  data[MGRID + MGRID] = beta;
  data[MGRID + MGRID + 1] = -ONE / (dx * dx);
  data[MGRID + MGRID + 2] = -ONE / (dx * dx);
  /* middle data elements */
  for (i = 0; i < (MGRID - 4); i++)
    data[MGRID + MGRID + 3 + 4 * i] = -ONE / (dx * dx);
  for (i = 0; i < (MGRID - 4); i++)
    data[MGRID + MGRID + 4 + 4 * i] = beta;
  for (i = 0; i < (MGRID - 4); i++)
    data[MGRID + MGRID + 5 + 4 * i] = -ONE / (dx * dx);
  for (i = 0; i < (MGRID - 4); i++)
    data[MGRID + MGRID + 6 + 4 * i] = -ONE / (dx * dx);
  data[2 * MGRID + 4 * (MGRID - 2) - 5] = -ONE / (dx * dx);
  data[2 * MGRID + 4 * (MGRID - 2) - 4] = beta;
  data[2 * MGRID + 4 * (MGRID - 2) - 3] = -ONE / (dx * dx);
  data[2 * MGRID + 4 * (MGRID - 2) - 2] = -ONE / (dx * dx);
  data[2 * MGRID + 4 * (MGRID - 2) - 1] = ONE;

  /**** repeated (MGRID-4 times) middle column blocks ****/
  repeat = 0;
  for (i = 0; i < MGRID - 4; i++)
  {
    data[2 * MGRID + 4 * (MGRID - 2) + repeat] = ONE;
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + 1] = -ONE / (dx * dx);

    data[2 * MGRID + 4 * (MGRID - 2) + repeat + 2] = -ONE / (dx * dx);
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + 3] = beta;
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + 4] = -ONE / (dx * dx);
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + 5] = -ONE / (dx * dx);

    /* 5 in 5*j chosen since there are 5 elements in each column */
    /* this column loops MGRID-4 times within the outer loop */
    for (j = 0; j < MGRID - 4; j++)
    {
      data[2 * MGRID + 4 * (MGRID - 2) + repeat + 6 + 5 * j] = -ONE / (dx * dx);
      data[2 * MGRID + 4 * (MGRID - 2) + repeat + 7 + 5 * j] = -ONE / (dx * dx);
      data[2 * MGRID + 4 * (MGRID - 2) + repeat + 8 + 5 * j] = beta;
      data[2 * MGRID + 4 * (MGRID - 2) + repeat + 9 + 5 * j] = -ONE / (dx * dx);
      data[2 * MGRID + 4 * (MGRID - 2) + repeat + 10 + 5 * j] = -ONE / (dx * dx);
    }

    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 6] = -ONE / (dx * dx);
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 7] = -ONE / (dx * dx);
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 8] = beta;
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 9] = -ONE / (dx * dx);

    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 10] = -ONE / (dx * dx);
    data[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 11] = ONE;

    repeat += MGRID + 4 * (MGRID - 2); /* shift that accounts for accumulated columns and elements */
  }

  /**** last-1 column block ****/
  data[TOTAL - 6 * (MGRID - 2) - 4] = ONE;
  data[TOTAL - 6 * (MGRID - 2) - 3] = -ONE / (dx * dx);
  data[TOTAL - 6 * (MGRID - 2) - 2] = -ONE / (dx * dx);
  data[TOTAL - 6 * (MGRID - 2) - 1] = beta;
  data[TOTAL - 6 * (MGRID - 2)] = -ONE / (dx * dx);
  /* middle data elements */
  for (i = 0; i < (MGRID - 4); i++)
    data[TOTAL - 6 * (MGRID - 2) + 1 + 4 * i] = -ONE / (dx * dx);
  for (i = 0; i < (MGRID - 4); i++)
    data[TOTAL - 6 * (MGRID - 2) + 2 + 4 * i] = -ONE / (dx * dx);
  for (i = 0; i < (MGRID - 4); i++)
    data[TOTAL - 6 * (MGRID - 2) + 3 + 4 * i] = beta;
  for (i = 0; i < (MGRID - 4); i++)
    data[TOTAL - 6 * (MGRID - 2) + 4 + 4 * i] = -ONE / (dx * dx);
  data[TOTAL - 2 * (MGRID - 2) - 7] = -ONE / (dx * dx);
  data[TOTAL - 2 * (MGRID - 2) - 6] = -ONE / (dx * dx);
  data[TOTAL - 2 * (MGRID - 2) - 5] = beta;
  data[TOTAL - 2 * (MGRID - 2) - 4] = -ONE / (dx * dx);
  data[TOTAL - 2 * (MGRID - 2) - 3] = ONE;

  /**** last column block ****/
  data[TOTAL - 2 * (MGRID - 2) - 2] = ONE;
  /* alternating pattern in data, separate loop for each pattern  */
  for (i = TOTAL - 2 * (MGRID - 2) - 1; i < TOTAL - 2; i += 2)
    data[i] = -ONE / (dx * dx);
  for (i = TOTAL - 2 * (MGRID - 2); i < TOTAL - 1; i += 2)
    data[i] = ONE;
  data[TOTAL - 1] = ONE;

  /*
   *-----------------------------------------------
   * row values
   *-----------------------------------------------
   */

  /**** first block ****/
  rowvals[0] = 0;
  /* alternating pattern in data, separate loop for each pattern */
  for (i = 1; i < MGRID + (MGRID - 2); i += 2)
    rowvals[i] = (i + 1) / 2;
  for (i = 2; i < MGRID + (MGRID - 2) - 1; i += 2)
    rowvals[i] = i / 2 + MGRID; /* i+1 unnecessary here */

  /**** second column block ****/
  rowvals[MGRID + MGRID - 2] = MGRID;
  rowvals[MGRID + MGRID - 1] = MGRID + 1;
  rowvals[MGRID + MGRID] = MGRID + 1;
  rowvals[MGRID + MGRID + 1] = MGRID + 2;
  rowvals[MGRID + MGRID + 2] = 2 * MGRID + 1;
  /* middle row values */
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[MGRID + MGRID + 3 + 4 * i] = MGRID + 1 + i;
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[MGRID + MGRID + 4 + 4 * i] = MGRID + 2 + i;
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[MGRID + MGRID + 5 + 4 * i] = MGRID + 3 + i;
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[MGRID + MGRID + 6 + 4 * i] = 2 * MGRID + 2 + i;
  rowvals[2 * MGRID + 4 * (MGRID - 2) - 5] = MGRID + (MGRID - 2) - 1;
  rowvals[2 * MGRID + 4 * (MGRID - 2) - 4] = MGRID + (MGRID - 2); /* starting from here, add two diag patterns */
  rowvals[2 * MGRID + 4 * (MGRID - 2) - 3] = 2 * MGRID + (MGRID - 2);
  rowvals[2 * MGRID + 4 * (MGRID - 2) - 2] = MGRID + (MGRID - 2);
  rowvals[2 * MGRID + 4 * (MGRID - 2) - 1] = MGRID + (MGRID - 2) + 1;

  /**** repeated (MGRID-4 times) middle column blocks ****/
  repeat = 0;
  for (i = 0; i < MGRID - 4; i++)
  {
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat] = MGRID + (MGRID - 2) + 2 + MGRID * i;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 1] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1;

    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 2] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1 - MGRID;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 3] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 4] = MGRID + (MGRID - 2) + 2 + MGRID * i + 2; /* *this */
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 5] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1 + MGRID;

    /* 5 in 5*j chosen since there are 5 elements in each column */
    /* column repeats MGRID-4 times within the outer loop */
    for (j = 0; j < MGRID - 4; j++)
    {
      rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 6 + 5 * j] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1 - MGRID + 1 + j;
      rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 7 + 5 * j] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1 + j;
      rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 8 + 5 * j] = MGRID + (MGRID - 2) + 2 + MGRID * i + 2 + j;
      rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 9 + 5 * j] = MGRID + (MGRID - 2) + 2 + MGRID * i + 2 + 1 + j;
      rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + 10 + 5 * j] = MGRID + (MGRID - 2) + 2 + MGRID * i + 1 + MGRID + 1 + j;
    }

    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 6] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 7] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2 + MGRID - 1;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 8] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2 + MGRID; /* *this+MGRID */
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 9] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2 + 2 * MGRID;

    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 10] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2 + MGRID;
    rowvals[2 * MGRID + 4 * (MGRID - 2) + repeat + (MGRID - 4) * 5 + 11] = MGRID + (MGRID - 2) + 2 + MGRID * i - 2 + MGRID + 1;

    repeat += MGRID + 4 * (MGRID - 2); /* shift that accounts for accumulated columns and elements */
  }

  /**** last-1 column block ****/
  rowvals[TOTAL - 6 * (MGRID - 2) - 4] = MGRID * MGRID - 1 - 2 * (MGRID - 1) - 1;
  rowvals[TOTAL - 6 * (MGRID - 2) - 3] = MGRID * MGRID - 1 - 2 * (MGRID - 1); /* starting with this as base */
  rowvals[TOTAL - 6 * (MGRID - 2) - 2] = MGRID * MGRID - 1 - 2 * (MGRID - 1) - MGRID;
  rowvals[TOTAL - 6 * (MGRID - 2) - 1] = MGRID * MGRID - 1 - 2 * (MGRID - 1);
  rowvals[TOTAL - 6 * (MGRID - 2)] = MGRID * MGRID - 1 - 2 * (MGRID - 1) + 1;
  /* middle row values */
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[TOTAL - 6 * (MGRID - 2) + 1 + 4 * i] = MGRID * MGRID - 1 - 2 * (MGRID - 1) - MGRID + 1 + i;
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[TOTAL - 6 * (MGRID - 2) + 2 + 4 * i] = MGRID * MGRID - 1 - 2 * (MGRID - 1) + i;
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[TOTAL - 6 * (MGRID - 2) + 3 + 4 * i] = MGRID * MGRID - 1 - 2 * (MGRID - 1) + 1 + i; /*copied above*/
  for (i = 0; i < (MGRID - 4); i++)
    rowvals[TOTAL - 6 * (MGRID - 2) + 4 + 4 * i] = MGRID * MGRID - 1 - 2 * (MGRID - 1) + 2 + i;
  rowvals[TOTAL - 2 * (MGRID - 2) - 7] = MGRID * MGRID - 2 * MGRID - 2;
  rowvals[TOTAL - 2 * (MGRID - 2) - 6] = MGRID * MGRID - MGRID - 3;
  rowvals[TOTAL - 2 * (MGRID - 2) - 5] = MGRID * MGRID - MGRID - 2;
  rowvals[TOTAL - 2 * (MGRID - 2) - 4] = MGRID * MGRID - MGRID - 2;
  rowvals[TOTAL - 2 * (MGRID - 2) - 3] = MGRID * MGRID - MGRID - 1;

  /* last column block */
  rowvals[TOTAL - 2 * (MGRID - 2) - 2] = MGRID * MGRID - MGRID;
  /* alternating pattern in data, separate loop for each pattern  */
  for (i = 0; i < (MGRID - 2); i++)
    rowvals[TOTAL - 2 * (MGRID - 2) - 1 + 2 * i] = MGRID * MGRID - 2 * MGRID + 1 + i;
  for (i = 0; i < (MGRID - 2); i++)
    rowvals[TOTAL - 2 * (MGRID - 2) + 2 * i] = MGRID * MGRID - MGRID + 1 + i;
  rowvals[TOTAL - 1] = MGRID * MGRID - 1;

  return (0);
}

/*
 *--------------------------------------------------------------------
 * PRIVATE FUNCTIONS
 *--------------------------------------------------------------------
 */

/*
 * SetInitialProfile: routine to initialize u, up, and id vectors.
 */

static int SetInitialProfile(UserData data, N_Vector uu, N_Vector up,
                             N_Vector id, N_Vector res)
{
  realtype xfact, yfact, *udata, *updata, *iddata;
  sunindextype mm, mm1, i, j, offset, loc;

  mm = data->mm;
  mm1 = mm - 1;

  udata = N_VGetArrayPointer(uu);
  updata = N_VGetArrayPointer(up);
  iddata = N_VGetArrayPointer(id);

  /* Initialize id to 1's. */
  N_VConst(ONE, id);

  /* Initialize uu on all grid points. */
  for (j = 0; j < mm; j++)
  {
    yfact = data->dx * j;
    offset = mm * j;
    for (i = 0; i < mm; i++)
    {
      xfact = data->dx * i;
      loc = offset + i;
      udata[loc] = RCONST(16.0) * xfact * (ONE - xfact) * yfact * (ONE - yfact);
    }
  }

  /* Initialize up vector to 0. */
  N_VConst(ZERO, up);

  /* heatres sets res to negative of ODE RHS values at interior points. */
  heatres(ZERO, uu, up, res, data);

  /* Copy -res into up to get correct interior initial up values. */
  N_VScale(-ONE, res, up);

  /* Finally, set values of u, up, and id at boundary points. */
  for (j = 0; j < mm; j++)
  {
    offset = mm * j;
    for (i = 0; i < mm; i++)
    {
      loc = offset + i;
      if (j == 0 || j == mm1 || i == 0 || i == mm1)
      {
        udata[loc] = BVAL;
        updata[loc] = ZERO;
        iddata[loc] = ZERO;
      }
    }
  }

  return (0);
}

/*
 * Print first lines of output (problem description)
 */

static void PrintHeader(realtype, realtype)
{
#if 0
  printf("\nidaHeat2D_klu: Heat equation, serial example problem for IDA\n");
  printf("          Discretized heat equation on 2D unit square.\n");
  printf("          Zero boundary conditions,");
  printf(" polynomial initial conditions.\n");
  printf("          Mesh dimensions: %d x %d", MGRID, MGRID);
  printf("        Total system size: %d\n\n", NEQ);
#if defined(SUNDIALS_EXTENDED_PRECISION)
  printf("Tolerance parameters:  rtol = %Lg   atol = %Lg\n", rtol, atol);
#elif defined(SUNDIALS_DOUBLE_PRECISION)
  printf("Tolerance parameters:  rtol = %g   atol = %g\n", rtol, atol);
#else
  printf("Tolerance parameters:  rtol = %g   atol = %g\n", rtol, atol);
#endif
  printf("Constraints set to force all solution components >= 0. \n");
  printf("Linear solver: KLU, sparse direct solver \n");
  printf("       difference quotient Jacobian\n");
#if defined(SUNDIALS_EXTENDED_PRECISION)
  printf("IDACalcIC called with input boundary values = %Lg \n", BVAL);
#elif defined(SUNDIALS_DOUBLE_PRECISION)
  printf("IDACalcIC called with input boundary values = %g \n", BVAL);
#else
  printf("IDACalcIC called with input boundary values = %g \n", BVAL);
#endif
  /* Print output table heading and initial line of table. */
  printf("\n   Output Summary (umax = max-norm of solution) \n\n");
  printf("  time       umax     k  nst  nni  nje   nre     h       \n");
  printf(" .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  .  . \n");
#endif
}

/*
 * Print Output
 */

static void PrintOutput(void *, realtype, N_Vector)
{
#if 0
  int retval;
  realtype umax, hused;
  long int nst, nni, nje, nre;
  int kused;

  umax = N_VMaxNorm(uu);

  retval = IDAGetLastOrder(mem, &kused);
  check_retval(&retval, "IDAGetLastOrder", 1);
  retval = IDAGetNumSteps(mem, &nst);
  check_retval(&retval, "IDAGetNumSteps", 1);
  retval = IDAGetNumNonlinSolvIters(mem, &nni);
  check_retval(&retval, "IDAGetNumNonlinSolvIters", 1);
  retval = IDAGetNumResEvals(mem, &nre);
  check_retval(&retval, "IDAGetNumResEvals", 1);
  retval = IDAGetLastStep(mem, &hused);
  check_retval(&retval, "IDAGetLastStep", 1);
  retval = IDAGetNumJacEvals(mem, &nje);
  check_retval(&retval, "IDAGetNumJacEvals", 1);

#if defined(SUNDIALS_EXTENDED_PRECISION)
  printf(" %5.2Lf %13.5Le  %d  %3ld  %3ld  %3ld  %4ld  %9.2Le \n",
         t, umax, kused, nst, nni, nje, nre, hused);
#elif defined(SUNDIALS_DOUBLE_PRECISION)
  printf(" %5.2f %13.5e  %d  %3ld  %3ld  %3ld  %4ld  %9.2e \n",
         t, umax, kused, nst, nni, nje, nre, hused);
#else
  printf(" %5.2f %13.5e  %d  %3ld  %3ld  %3ld  %4ld  %9.2e \n",
         t, umax, kused, nst, nni, nje, nre, hused);
#endif
#endif
}

/*
 * Check function return value...
 *   opt == 0 means SUNDIALS function allocates memory so check if
 *            returned NULL pointer
 *   opt == 1 means SUNDIALS function returns an integer value so check if
 *            retval < 0
 *   opt == 2 means function allocates memory so check if returned
 *            NULL pointer
 */

static int check_retval(void *returnvalue, const char *funcname, int opt)
{
  int *retval;

  /* Check if SUNDIALS function returned NULL pointer - no memory allocated */
  if (opt == 0 && returnvalue == NULL)
  {
    fprintf(stderr,
            "\nSUNDIALS_ERROR: %s() failed - returned NULL pointer\n\n",
            funcname);
    return (1);
  }
  else if (opt == 1)
  {
    /* Check if retval < 0 */
    retval = (int *)returnvalue;
    if (*retval < 0)
    {
      fprintf(stderr,
              "\nSUNDIALS_ERROR: %s() failed with retval = %d\n\n",
              funcname, *retval);
      return (1);
    }
  }
  else if (opt == 2 && returnvalue == NULL)
  {
    /* Check if function returned NULL pointer - no memory allocated */
    fprintf(stderr,
            "\nMEMORY_ERROR: %s() failed - returned NULL pointer\n\n",
            funcname);
    return (1);
  }

  return (0);
}
