xref: /petsc/src/ts/tutorials/autodiff/adr_ex1.cxx (revision 3ba1676111f5c958fe6c2729b46ca4d523958bb3)

static char help[] = "Demonstrates automatic Jacobian generation using ADOL-C for a nonlinear reaction problem from chemistry.\n";

/*
   REQUIRES configuration of PETSc with option --download-adolc.

   For documentation on ADOL-C, see
     $PETSC_ARCH/externalpackages/ADOL-C-2.6.0/ADOL-C/doc/adolc-manual.pdf
*/
/* ------------------------------------------------------------------------
  See ../advection-diffusion-reaction/ex1 for a description of the problem
  ------------------------------------------------------------------------- */
#include <petscts.h>
#include "adolc-utils/drivers.cxx"
#include <adolc/adolc.h>

typedef struct {
  PetscScalar k;
  Vec         initialsolution;
  AdolcCtx   *adctx; /* Automatic differentiation support */
} AppCtx;

PetscErrorCode IFunctionView(AppCtx *ctx, PetscViewer v)
{
  PetscFunctionBegin;
  PetscCall(PetscViewerBinaryWrite(v, &ctx->k, 1, PETSC_SCALAR));
  PetscFunctionReturn(PETSC_SUCCESS);
}

PetscErrorCode IFunctionLoad(AppCtx **ctx, PetscViewer v)
{
  PetscFunctionBegin;
  PetscCall(PetscNew(ctx));
  PetscCall(PetscViewerBinaryRead(v, &(*ctx)->k, 1, NULL, PETSC_SCALAR));
  PetscFunctionReturn(PETSC_SUCCESS);
}

/*
  Defines the ODE passed to the ODE solver
*/
PetscErrorCode IFunctionPassive(TS ts, PetscReal t, Vec U, Vec Udot, Vec F, AppCtx *ctx)
{
  PetscScalar       *f;
  const PetscScalar *u, *udot;

  PetscFunctionBegin;
  /*  The next three lines allow us to access the entries of the vectors directly */
  PetscCall(VecGetArrayRead(U, &u));
  PetscCall(VecGetArrayRead(Udot, &udot));
  PetscCall(VecGetArray(F, &f));
  f[0] = udot[0] + ctx->k * u[0] * u[1];
  f[1] = udot[1] + ctx->k * u[0] * u[1];
  f[2] = udot[2] - ctx->k * u[0] * u[1];
  PetscCall(VecRestoreArray(F, &f));
  PetscCall(VecRestoreArrayRead(Udot, &udot));
  PetscCall(VecRestoreArrayRead(U, &u));
  PetscFunctionReturn(PETSC_SUCCESS);
}

/*
  'Active' ADOL-C annotated version, marking dependence upon u.
*/
PetscErrorCode IFunctionActive1(TS ts, PetscReal t, Vec U, Vec Udot, Vec F, AppCtx *ctx)
{
  PetscScalar       *f;
  const PetscScalar *u, *udot;

  adouble f_a[3]; /* 'active' double for dependent variables */
  adouble u_a[3]; /* 'active' double for independent variables */

  PetscFunctionBegin;
  /*  The next three lines allow us to access the entries of the vectors directly */
  PetscCall(VecGetArrayRead(U, &u));
  PetscCall(VecGetArrayRead(Udot, &udot));
  PetscCall(VecGetArray(F, &f));

  /* Start of active section */
  trace_on(1);
  u_a[0] <<= u[0];
  u_a[1] <<= u[1];
  u_a[2] <<= u[2]; /* Mark independence */
  f_a[0] = udot[0] + ctx->k * u_a[0] * u_a[1];
  f_a[1] = udot[1] + ctx->k * u_a[0] * u_a[1];
  f_a[2] = udot[2] - ctx->k * u_a[0] * u_a[1];
  f_a[0] >>= f[0];
  f_a[1] >>= f[1];
  f_a[2] >>= f[2]; /* Mark dependence */
  trace_off();
  /* End of active section */

  PetscCall(VecRestoreArray(F, &f));
  PetscCall(VecRestoreArrayRead(Udot, &udot));
  PetscCall(VecRestoreArrayRead(U, &u));
  PetscFunctionReturn(PETSC_SUCCESS);
}

/*
  'Active' ADOL-C annotated version, marking dependence upon udot.
*/
PetscErrorCode IFunctionActive2(TS ts, PetscReal t, Vec U, Vec Udot, Vec F, AppCtx *ctx)
{
  PetscScalar       *f;
  const PetscScalar *u, *udot;

  adouble f_a[3];    /* 'active' double for dependent variables */
  adouble udot_a[3]; /* 'active' double for independent variables */

  PetscFunctionBegin;
  /*  The next three lines allow us to access the entries of the vectors directly */
  PetscCall(VecGetArrayRead(U, &u));
  PetscCall(VecGetArrayRead(Udot, &udot));
  PetscCall(VecGetArray(F, &f));

  /* Start of active section */
  trace_on(2);
  udot_a[0] <<= udot[0];
  udot_a[1] <<= udot[1];
  udot_a[2] <<= udot[2]; /* Mark independence */
  f_a[0] = udot_a[0] + ctx->k * u[0] * u[1];
  f_a[1] = udot_a[1] + ctx->k * u[0] * u[1];
  f_a[2] = udot_a[2] - ctx->k * u[0] * u[1];
  f_a[0] >>= f[0];
  f_a[1] >>= f[1];
  f_a[2] >>= f[2]; /* Mark dependence */
  trace_off();
  /* End of active section */

  PetscCall(VecRestoreArray(F, &f));
  PetscCall(VecRestoreArrayRead(Udot, &udot));
  PetscCall(VecRestoreArrayRead(U, &u));
  PetscFunctionReturn(PETSC_SUCCESS);
}

/*
 Defines the Jacobian of the ODE passed to the ODE solver, using the PETSc-ADOL-C driver for
 implicit TS.
*/
PetscErrorCode IJacobian(TS ts, PetscReal t, Vec U, Vec Udot, PetscReal a, Mat A, Mat B, AppCtx *ctx)
{
  AppCtx            *appctx = (AppCtx *)ctx;
  const PetscScalar *u;

  PetscFunctionBegin;
  PetscCall(VecGetArrayRead(U, &u));
  PetscCall(PetscAdolcComputeIJacobian(1, 2, A, u, a, appctx->adctx));
  PetscCall(VecRestoreArrayRead(U, &u));
  PetscFunctionReturn(PETSC_SUCCESS);
}

/*
     Defines the exact (analytic) solution to the ODE
*/
static PetscErrorCode Solution(TS ts, PetscReal t, Vec U, AppCtx *ctx)
{
  const PetscScalar *uinit;
  PetscScalar       *u, d0, q;

  PetscFunctionBegin;
  PetscCall(VecGetArrayRead(ctx->initialsolution, &uinit));
  PetscCall(VecGetArray(U, &u));
  d0 = uinit[0] - uinit[1];
  if (d0 == 0.0) q = ctx->k * t;
  else q = (1.0 - PetscExpScalar(-ctx->k * t * d0)) / d0;
  u[0] = uinit[0] / (1.0 + uinit[1] * q);
  u[1] = u[0] - d0;
  u[2] = uinit[1] + uinit[2] - u[1];
  PetscCall(VecRestoreArray(U, &u));
  PetscCall(VecRestoreArrayRead(ctx->initialsolution, &uinit));
  PetscFunctionReturn(PETSC_SUCCESS);
}

int main(int argc, char **argv)
{
  TS                ts;         /* ODE integrator */
  Vec               U, Udot, R; /* solution, derivative, residual */
  Mat               A;          /* Jacobian matrix */
  PetscMPIInt       size;
  PetscInt          n = 3;
  AppCtx            ctx;
  AdolcCtx         *adctx;
  PetscScalar      *u;
  const char *const names[] = {"U1", "U2", "U3", NULL};

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Initialize program
     - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscFunctionBeginUser;
  PetscCall(PetscInitialize(&argc, &argv, NULL, help));
  PetscCallMPI(MPI_Comm_size(PETSC_COMM_WORLD, &size));
  PetscCheck(size <= 1, PETSC_COMM_WORLD, PETSC_ERR_SUP, "Only for sequential runs");
  PetscCall(PetscNew(&adctx));
  adctx->m  = n;
  adctx->n  = n;
  adctx->p  = n;
  ctx.adctx = adctx;

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    Create necessary matrix and vectors
    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(MatCreate(PETSC_COMM_WORLD, &A));
  PetscCall(MatSetSizes(A, n, n, PETSC_DETERMINE, PETSC_DETERMINE));
  PetscCall(MatSetFromOptions(A));
  PetscCall(MatSetUp(A));

  PetscCall(MatCreateVecs(A, &U, NULL));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
    Set runtime options
    - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  ctx.k = .9;
  PetscCall(PetscOptionsGetScalar(NULL, NULL, "-k", &ctx.k, NULL));
  PetscCall(VecDuplicate(U, &ctx.initialsolution));
  PetscCall(VecGetArray(ctx.initialsolution, &u));
  u[0] = 1;
  u[1] = .7;
  u[2] = 0;
  PetscCall(VecRestoreArray(ctx.initialsolution, &u));
  PetscCall(PetscOptionsGetVec(NULL, NULL, "-initial", ctx.initialsolution, NULL));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Create timestepping solver context
     - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(TSCreate(PETSC_COMM_WORLD, &ts));
  PetscCall(TSSetProblemType(ts, TS_NONLINEAR));
  PetscCall(TSSetType(ts, TSROSW));
  PetscCall(TSSetIFunction(ts, NULL, (TSIFunction)IFunctionPassive, &ctx));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Set initial conditions
   - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(Solution(ts, 0, U, &ctx));
  PetscCall(TSSetSolution(ts, U));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Trace just once for each tape
     - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(VecDuplicate(U, &Udot));
  PetscCall(VecDuplicate(U, &R));
  PetscCall(IFunctionActive1(ts, 0., U, Udot, R, &ctx));
  PetscCall(IFunctionActive2(ts, 0., U, Udot, R, &ctx));
  PetscCall(VecDestroy(&R));
  PetscCall(VecDestroy(&Udot));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Set Jacobian
     - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(TSSetIJacobian(ts, A, A, (TSIJacobian)IJacobian, &ctx));
  PetscCall(TSSetSolutionFunction(ts, (TSSolutionFunction)Solution, &ctx));

  {
    DM    dm;
    void *ptr;
    PetscCall(TSGetDM(ts, &dm));
    PetscCall(PetscDLSym(NULL, "IFunctionView", &ptr));
    PetscCall(PetscDLSym(NULL, "IFunctionLoad", &ptr));
    PetscCall(DMTSSetIFunctionSerialize(dm, (PetscErrorCode(*)(void *, PetscViewer))IFunctionView, (PetscErrorCode(*)(void **, PetscViewer))IFunctionLoad));
    PetscCall(DMTSSetIJacobianSerialize(dm, (PetscErrorCode(*)(void *, PetscViewer))IFunctionView, (PetscErrorCode(*)(void **, PetscViewer))IFunctionLoad));
  }

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Set solver options
   - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(TSSetTimeStep(ts, .001));
  PetscCall(TSSetMaxSteps(ts, 1000));
  PetscCall(TSSetMaxTime(ts, 20.0));
  PetscCall(TSSetExactFinalTime(ts, TS_EXACTFINALTIME_STEPOVER));
  PetscCall(TSSetFromOptions(ts));
  PetscCall(TSMonitorLGSetVariableNames(ts, names));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Solve nonlinear system
     - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(TSSolve(ts, U));

  PetscCall(TSView(ts, PETSC_VIEWER_BINARY_WORLD));

  /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
     Free work space.  All PETSc objects should be destroyed when they are no longer needed.
   - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */
  PetscCall(VecDestroy(&ctx.initialsolution));
  PetscCall(MatDestroy(&A));
  PetscCall(VecDestroy(&U));
  PetscCall(TSDestroy(&ts));
  PetscCall(PetscFree(adctx));
  PetscCall(PetscFinalize());
  return 0;
}

/*TEST

  build:
    requires: double !complex adolc

  test:
    suffix: 1
    args: -ts_max_steps 10 -ts_monitor -ts_adjoint_monitor
    output_file: output/adr_ex1_1.out

  test:
    suffix: 2
    args: -ts_max_steps 1 -snes_test_jacobian
    output_file: output/adr_ex1_2.out

TEST*/