static char help[] = "Demonstrates automatic Jacobian generation using ADOL-C for a nonlinear reaction problem from chemistry.\n"; /* Concepts: TS^time-dependent nonlinear problems Concepts: Automatic differentiation using ADOL-C Processors: 1 */ /* 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) { PetscErrorCode ierr; PetscFunctionBegin; ierr = PetscViewerBinaryWrite(v,&ctx->k,1,PETSC_SCALAR);CHKERRQ(ierr); PetscFunctionReturn(0); } PetscErrorCode IFunctionLoad(AppCtx **ctx,PetscViewer v) { PetscErrorCode ierr; PetscFunctionBegin; ierr = PetscNew(ctx);CHKERRQ(ierr); ierr = PetscViewerBinaryRead(v,&(*ctx)->k,1,NULL,PETSC_SCALAR);CHKERRQ(ierr); PetscFunctionReturn(0); } /* Defines the ODE passed to the ODE solver */ PetscErrorCode IFunctionPassive(TS ts,PetscReal t,Vec U,Vec Udot,Vec F,AppCtx *ctx) { PetscErrorCode ierr; PetscScalar *f; const PetscScalar *u,*udot; PetscFunctionBegin; /* The next three lines allow us to access the entries of the vectors directly */ ierr = VecGetArrayRead(U,&u);CHKERRQ(ierr); ierr = VecGetArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecGetArray(F,&f);CHKERRQ(ierr); 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]; ierr = VecRestoreArray(F,&f);CHKERRQ(ierr); ierr = VecRestoreArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecRestoreArrayRead(U,&u);CHKERRQ(ierr); PetscFunctionReturn(0); } /* 'Active' ADOL-C annotated version, marking dependence upon u. */ PetscErrorCode IFunctionActive1(TS ts,PetscReal t,Vec U,Vec Udot,Vec F,AppCtx *ctx) { PetscErrorCode ierr; 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 */ ierr = VecGetArrayRead(U,&u);CHKERRQ(ierr); ierr = VecGetArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecGetArray(F,&f);CHKERRQ(ierr); /* 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 */ ierr = VecRestoreArray(F,&f);CHKERRQ(ierr); ierr = VecRestoreArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecRestoreArrayRead(U,&u);CHKERRQ(ierr); PetscFunctionReturn(0); } /* 'Active' ADOL-C annotated version, marking dependence upon udot. */ PetscErrorCode IFunctionActive2(TS ts,PetscReal t,Vec U,Vec Udot,Vec F,AppCtx *ctx) { PetscErrorCode ierr; 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 */ ierr = VecGetArrayRead(U,&u);CHKERRQ(ierr); ierr = VecGetArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecGetArray(F,&f);CHKERRQ(ierr); /* 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 */ ierr = VecRestoreArray(F,&f);CHKERRQ(ierr); ierr = VecRestoreArrayRead(Udot,&udot);CHKERRQ(ierr); ierr = VecRestoreArrayRead(U,&u);CHKERRQ(ierr); PetscFunctionReturn(0); } /* 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) { PetscErrorCode ierr; AppCtx *appctx = (AppCtx*)ctx; const PetscScalar *u; PetscFunctionBegin; ierr = VecGetArrayRead(U,&u);CHKERRQ(ierr); ierr = PetscAdolcComputeIJacobian(1,2,A,u,a,appctx->adctx);CHKERRQ(ierr); ierr = VecRestoreArrayRead(U,&u);CHKERRQ(ierr); PetscFunctionReturn(0); } /* Defines the exact (analytic) solution to the ODE */ static PetscErrorCode Solution(TS ts,PetscReal t,Vec U,AppCtx *ctx) { PetscErrorCode ierr; const PetscScalar *uinit; PetscScalar *u,d0,q; PetscFunctionBegin; ierr = VecGetArrayRead(ctx->initialsolution,&uinit);CHKERRQ(ierr); ierr = VecGetArray(U,&u);CHKERRQ(ierr); 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]; ierr = VecRestoreArray(U,&u);CHKERRQ(ierr); ierr = VecRestoreArrayRead(ctx->initialsolution,&uinit);CHKERRQ(ierr); PetscFunctionReturn(0); } int main(int argc,char **argv) { TS ts; /* ODE integrator */ Vec U,Udot,R; /* solution, derivative, residual */ Mat A; /* Jacobian matrix */ PetscErrorCode ierr; PetscMPIInt size; PetscInt n = 3; AppCtx ctx; AdolcCtx *adctx; PetscScalar *u; const char * const names[] = {"U1","U2","U3",NULL}; /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Initialize program - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = PetscInitialize(&argc,&argv,NULL,help);if (ierr) return ierr; ierr = MPI_Comm_size(PETSC_COMM_WORLD,&size);CHKERRQ(ierr); if (size > 1) SETERRQ(PETSC_COMM_WORLD,PETSC_ERR_SUP,"Only for sequential runs"); ierr = PetscNew(&adctx);CHKERRQ(ierr); adctx->m = n;adctx->n = n;adctx->p = n; ctx.adctx = adctx; /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Create necessary matrix and vectors - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = MatCreate(PETSC_COMM_WORLD,&A);CHKERRQ(ierr); ierr = MatSetSizes(A,n,n,PETSC_DETERMINE,PETSC_DETERMINE);CHKERRQ(ierr); ierr = MatSetFromOptions(A);CHKERRQ(ierr); ierr = MatSetUp(A);CHKERRQ(ierr); ierr = MatCreateVecs(A,&U,NULL);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Set runtime options - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ctx.k = .9; ierr = PetscOptionsGetScalar(NULL,NULL,"-k",&ctx.k,NULL);CHKERRQ(ierr); ierr = VecDuplicate(U,&ctx.initialsolution);CHKERRQ(ierr); ierr = VecGetArray(ctx.initialsolution,&u);CHKERRQ(ierr); u[0] = 1; u[1] = .7; u[2] = 0; ierr = VecRestoreArray(ctx.initialsolution,&u);CHKERRQ(ierr); ierr = PetscOptionsGetVec(NULL,NULL,"-initial",ctx.initialsolution,NULL);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Create timestepping solver context - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = TSCreate(PETSC_COMM_WORLD,&ts);CHKERRQ(ierr); ierr = TSSetProblemType(ts,TS_NONLINEAR);CHKERRQ(ierr); ierr = TSSetType(ts,TSROSW);CHKERRQ(ierr); ierr = TSSetIFunction(ts,NULL,(TSIFunction) IFunctionPassive,&ctx);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Set initial conditions - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = Solution(ts,0,U,&ctx);CHKERRQ(ierr); ierr = TSSetSolution(ts,U);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Trace just once for each tape - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = VecDuplicate(U,&Udot);CHKERRQ(ierr); ierr = VecDuplicate(U,&R);CHKERRQ(ierr); ierr = IFunctionActive1(ts,0.,U,Udot,R,&ctx);CHKERRQ(ierr); ierr = IFunctionActive2(ts,0.,U,Udot,R,&ctx);CHKERRQ(ierr); ierr = VecDestroy(&R);CHKERRQ(ierr); ierr = VecDestroy(&Udot);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Set Jacobian - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = TSSetIJacobian(ts,A,A,(TSIJacobian)IJacobian,&ctx);CHKERRQ(ierr); ierr = TSSetSolutionFunction(ts,(TSSolutionFunction)Solution,&ctx);CHKERRQ(ierr); { DM dm; void *ptr; ierr = TSGetDM(ts,&dm);CHKERRQ(ierr); ierr = PetscDLSym(NULL,"IFunctionView",&ptr);CHKERRQ(ierr); ierr = PetscDLSym(NULL,"IFunctionLoad",&ptr);CHKERRQ(ierr); ierr = DMTSSetIFunctionSerialize(dm,(PetscErrorCode (*)(void*,PetscViewer))IFunctionView,(PetscErrorCode (*)(void**,PetscViewer))IFunctionLoad);CHKERRQ(ierr); ierr = DMTSSetIJacobianSerialize(dm,(PetscErrorCode (*)(void*,PetscViewer))IFunctionView,(PetscErrorCode (*)(void**,PetscViewer))IFunctionLoad);CHKERRQ(ierr); } /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Set solver options - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = TSSetTimeStep(ts,.001);CHKERRQ(ierr); ierr = TSSetMaxSteps(ts,1000);CHKERRQ(ierr); ierr = TSSetMaxTime(ts,20.0);CHKERRQ(ierr); ierr = TSSetExactFinalTime(ts,TS_EXACTFINALTIME_STEPOVER);CHKERRQ(ierr); ierr = TSSetFromOptions(ts);CHKERRQ(ierr); ierr = TSMonitorLGSetVariableNames(ts,names);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Solve nonlinear system - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = TSSolve(ts,U);CHKERRQ(ierr); ierr = TSView(ts,PETSC_VIEWER_BINARY_WORLD);CHKERRQ(ierr); /* - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Free work space. All PETSc objects should be destroyed when they are no longer needed. - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - */ ierr = VecDestroy(&ctx.initialsolution);CHKERRQ(ierr); ierr = MatDestroy(&A);CHKERRQ(ierr); ierr = VecDestroy(&U);CHKERRQ(ierr); ierr = TSDestroy(&ts);CHKERRQ(ierr); ierr = PetscFree(adctx);CHKERRQ(ierr); ierr = PetscFinalize(); return ierr; } /*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*/