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 #include "adolc-utils/drivers.cxx" #include 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, (TSIFunctionFn *)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, (TSIJacobianFn *)IJacobian, &ctx)); PetscCall(TSSetSolutionFunction(ts, (TSSolutionFn *)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*/