static char help[] = "Demonstrates adjoint sensitivity analysis for Reaction-Diffusion Equations.\n"; /* See ex5.c for details on the equation. This code demonestrates the TSAdjoint/TAO interface to solve an inverse initial value problem built on a system of time-dependent partial differential equations. In this problem, the initial value for the PDE is unknown, but the output (the final solution of the PDE) is known. We want to determine the initial value that can produce the given output. We formulate the problem as a nonlinear optimization problem that minimizes the discrepency between the simulated result and given reference solution, calculate the gradient of the objective function with the discrete adjoint solver, and solve the optimization problem with TAO. Runtime options: -forwardonly - run only the forward simulation -implicitform - provide IFunction and IJacobian to TS, if not set, RHSFunction and RHSJacobian will be used */ #include #include #include #include #include typedef struct { PetscScalar u,v; } Field; typedef struct { PetscReal D1,D2,gamma,kappa; TS ts; Vec U; } AppCtx; /* User-defined routines */ extern PetscErrorCode RHSFunction(TS,PetscReal,Vec,Vec,void*),InitialConditions(DM,Vec); extern PetscErrorCode RHSJacobian(TS,PetscReal,Vec,Mat,Mat,void*); extern PetscErrorCode IFunction(TS,PetscReal,Vec,Vec,Vec,void*); extern PetscErrorCode IJacobian(TS,PetscReal,Vec,Vec,PetscReal,Mat,Mat,void*); extern PetscErrorCode FormFunctionAndGradient(Tao,Vec,PetscReal*,Vec,void*); /* Set terminal condition for the adjoint variable */ PetscErrorCode InitializeLambda(DM da,Vec lambda,Vec U,AppCtx *appctx) { char filename[PETSC_MAX_PATH_LEN]=""; PetscViewer viewer; Vec Uob; PetscErrorCode ierr; ierr = VecDuplicate(U,&Uob);CHKERRQ(ierr); ierr = PetscSNPrintf(filename,sizeof filename,"ex5opt.ob");CHKERRQ(ierr); ierr = PetscViewerBinaryOpen(PETSC_COMM_WORLD,filename,FILE_MODE_READ,&viewer);CHKERRQ(ierr); ierr = VecLoad(Uob,viewer);CHKERRQ(ierr); ierr = PetscViewerDestroy(&viewer);CHKERRQ(ierr); ierr = VecAYPX(Uob,-1.,U);CHKERRQ(ierr); ierr = VecScale(Uob,2.0);CHKERRQ(ierr); ierr = VecAXPY(lambda,1.,Uob);CHKERRQ(ierr); ierr = VecDestroy(&Uob);CHKERRQ(ierr); PetscFunctionReturn(0); } /* Set up a viewer that dumps data into a binary file */ PetscErrorCode OutputBIN(DM da, const char *filename, PetscViewer *viewer) { PetscErrorCode ierr; ierr = PetscViewerCreate(PetscObjectComm((PetscObject)da),viewer);CHKERRQ(ierr); ierr = PetscViewerSetType(*viewer,PETSCVIEWERBINARY);CHKERRQ(ierr); ierr = PetscViewerFileSetMode(*viewer,FILE_MODE_WRITE);CHKERRQ(ierr); ierr = PetscViewerFileSetName(*viewer,filename);CHKERRQ(ierr); PetscFunctionReturn(0); } /* Generate a reference solution and save it to a binary file */ PetscErrorCode GenerateOBs(TS ts,Vec U,AppCtx *appctx) { char filename[PETSC_MAX_PATH_LEN] = ""; PetscViewer viewer; DM da; PetscErrorCode ierr; ierr = TSGetDM(ts,&da);CHKERRQ(ierr); ierr = TSSolve(ts,U);CHKERRQ(ierr); ierr = PetscSNPrintf(filename,sizeof filename,"ex5opt.ob");CHKERRQ(ierr); ierr = OutputBIN(da,filename,&viewer);CHKERRQ(ierr); ierr = VecView(U,viewer);CHKERRQ(ierr); ierr = PetscViewerDestroy(&viewer);CHKERRQ(ierr); PetscFunctionReturn(0); } PetscErrorCode InitialConditions(DM da,Vec U) { PetscErrorCode ierr; PetscInt i,j,xs,ys,xm,ym,Mx,My; Field **u; PetscReal hx,hy,x,y; PetscFunctionBegin; ierr = DMDAGetInfo(da,PETSC_IGNORE,&Mx,&My,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE);CHKERRQ(ierr); hx = 2.5/(PetscReal)Mx; hy = 2.5/(PetscReal)My; ierr = DMDAVecGetArray(da,U,&u);CHKERRQ(ierr); /* Get local grid boundaries */ ierr = DMDAGetCorners(da,&xs,&ys,NULL,&xm,&ym,NULL);CHKERRQ(ierr); /* Compute function over the locally owned part of the grid */ for (j=ys; jD1*(uxx + uyy) - uc*vc*vc + appctx->gamma*(1.0 - uc); f[j][i].v = appctx->D2*(vxx + vyy) + uc*vc*vc - (appctx->gamma + appctx->kappa)*vc; } } ierr = PetscLogFlops(16*xm*ym);CHKERRQ(ierr); ierr = DMDAVecRestoreArrayRead(da,localU,&u);CHKERRQ(ierr); ierr = DMDAVecRestoreArray(da,F,&f);CHKERRQ(ierr); ierr = DMRestoreLocalVector(da,&localU);CHKERRQ(ierr); PetscFunctionReturn(0); } PetscErrorCode RHSJacobian(TS ts,PetscReal t,Vec U,Mat A,Mat BB,void *ctx) { AppCtx *appctx = (AppCtx*)ctx; /* user-defined application context */ DM da; PetscErrorCode ierr; PetscInt i,j,Mx,My,xs,ys,xm,ym; PetscReal hx,hy,sx,sy; PetscScalar uc,vc; Field **u; Vec localU; MatStencil stencil[6],rowstencil; PetscScalar entries[6]; PetscFunctionBegin; ierr = TSGetDM(ts,&da);CHKERRQ(ierr); ierr = DMGetLocalVector(da,&localU);CHKERRQ(ierr); ierr = DMDAGetInfo(da,PETSC_IGNORE,&Mx,&My,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE);CHKERRQ(ierr); hx = 2.50/(PetscReal)Mx; sx = 1.0/(hx*hx); hy = 2.50/(PetscReal)My; sy = 1.0/(hy*hy); /* Scatter ghost points to local vector,using the 2-step process DMGlobalToLocalBegin(),DMGlobalToLocalEnd(). By placing code between these two statements, computations can be done while messages are in transition. */ ierr = DMGlobalToLocalBegin(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); ierr = DMGlobalToLocalEnd(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); /* Get pointers to vector data */ ierr = DMDAVecGetArrayRead(da,localU,&u);CHKERRQ(ierr); /* Get local grid boundaries */ ierr = DMDAGetCorners(da,&xs,&ys,NULL,&xm,&ym,NULL);CHKERRQ(ierr); stencil[0].k = 0; stencil[1].k = 0; stencil[2].k = 0; stencil[3].k = 0; stencil[4].k = 0; stencil[5].k = 0; rowstencil.k = 0; /* Compute function over the locally owned part of the grid */ for (j=ys; jD1*(uxx + uyy) - uc*vc*vc + appctx->gamma*(1.0 - uc);*/ stencil[0].i = i; stencil[0].c = 0; entries[0] = appctx->D1*sy; stencil[1].i = i; stencil[1].c = 0; entries[1] = appctx->D1*sy; stencil[2].i = i-1; stencil[2].c = 0; entries[2] = appctx->D1*sx; stencil[3].i = i+1; stencil[3].c = 0; entries[3] = appctx->D1*sx; stencil[4].i = i; stencil[4].c = 0; entries[4] = -2.0*appctx->D1*(sx + sy) - vc*vc - appctx->gamma; stencil[5].i = i; stencil[5].c = 1; entries[5] = -2.0*uc*vc; rowstencil.i = i; rowstencil.c = 0; ierr = MatSetValuesStencil(A,1,&rowstencil,6,stencil,entries,INSERT_VALUES);CHKERRQ(ierr); stencil[0].c = 1; entries[0] = appctx->D2*sy; stencil[1].c = 1; entries[1] = appctx->D2*sy; stencil[2].c = 1; entries[2] = appctx->D2*sx; stencil[3].c = 1; entries[3] = appctx->D2*sx; stencil[4].c = 1; entries[4] = -2.0*appctx->D2*(sx + sy) + 2.0*uc*vc - appctx->gamma - appctx->kappa; stencil[5].c = 0; entries[5] = vc*vc; rowstencil.c = 1; ierr = MatSetValuesStencil(A,1,&rowstencil,6,stencil,entries,INSERT_VALUES);CHKERRQ(ierr); /* f[j][i].v = appctx->D2*(vxx + vyy) + uc*vc*vc - (appctx->gamma + appctx->kappa)*vc; */ } } ierr = PetscLogFlops(19*xm*ym);CHKERRQ(ierr); ierr = DMDAVecRestoreArrayRead(da,localU,&u);CHKERRQ(ierr); ierr = DMRestoreLocalVector(da,&localU);CHKERRQ(ierr); ierr = MatAssemblyBegin(A,MAT_FINAL_ASSEMBLY);CHKERRQ(ierr); ierr = MatAssemblyEnd(A,MAT_FINAL_ASSEMBLY);CHKERRQ(ierr); ierr = MatSetOption(A,MAT_NEW_NONZERO_LOCATION_ERR,PETSC_TRUE);CHKERRQ(ierr); PetscFunctionReturn(0); } /* IFunction - Evaluates implicit nonlinear function, xdot - F(x). Input Parameters: . ts - the TS context . U - input vector . Udot - input vector . ptr - optional user-defined context, as set by TSSetRHSFunction() Output Parameter: . F - function vector */ PetscErrorCode IFunction(TS ts,PetscReal ftime,Vec U,Vec Udot,Vec F,void *ptr) { AppCtx *appctx = (AppCtx*)ptr; DM da; PetscErrorCode ierr; PetscInt i,j,Mx,My,xs,ys,xm,ym; PetscReal hx,hy,sx,sy; PetscScalar uc,uxx,uyy,vc,vxx,vyy; Field **u,**f,**udot; Vec localU; PetscFunctionBegin; ierr = TSGetDM(ts,&da);CHKERRQ(ierr); ierr = DMGetLocalVector(da,&localU);CHKERRQ(ierr); ierr = DMDAGetInfo(da,PETSC_IGNORE,&Mx,&My,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE);CHKERRQ(ierr); hx = 2.50/(PetscReal)Mx; sx = 1.0/(hx*hx); hy = 2.50/(PetscReal)My; sy = 1.0/(hy*hy); /* Scatter ghost points to local vector,using the 2-step process DMGlobalToLocalBegin(),DMGlobalToLocalEnd(). By placing code between these two statements, computations can be done while messages are in transition. */ ierr = DMGlobalToLocalBegin(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); ierr = DMGlobalToLocalEnd(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); /* Get pointers to vector data */ ierr = DMDAVecGetArrayRead(da,localU,&u);CHKERRQ(ierr); ierr = DMDAVecGetArray(da,F,&f);CHKERRQ(ierr); ierr = DMDAVecGetArrayRead(da,Udot,&udot);CHKERRQ(ierr); /* Get local grid boundaries */ ierr = DMDAGetCorners(da,&xs,&ys,NULL,&xm,&ym,NULL);CHKERRQ(ierr); /* Compute function over the locally owned part of the grid */ for (j=ys; jD1*(uxx + uyy) - uc*vc*vc + appctx->gamma*(1.0 - uc) ); f[j][i].v = udot[j][i].v - ( appctx->D2*(vxx + vyy) + uc*vc*vc - (appctx->gamma + appctx->kappa)*vc ); } } ierr = PetscLogFlops(16*xm*ym);CHKERRQ(ierr); ierr = DMDAVecRestoreArrayRead(da,localU,&u);CHKERRQ(ierr); ierr = DMDAVecRestoreArray(da,F,&f);CHKERRQ(ierr); ierr = DMDAVecRestoreArrayRead(da,Udot,&udot);CHKERRQ(ierr); ierr = DMRestoreLocalVector(da,&localU);CHKERRQ(ierr); PetscFunctionReturn(0); } PetscErrorCode IJacobian(TS ts,PetscReal t,Vec U,Vec Udot,PetscReal a,Mat A,Mat BB,void *ctx) { AppCtx *appctx = (AppCtx*)ctx; /* user-defined application context */ DM da; PetscErrorCode ierr; PetscInt i,j,Mx,My,xs,ys,xm,ym; PetscReal hx,hy,sx,sy; PetscScalar uc,vc; Field **u; Vec localU; MatStencil stencil[6],rowstencil; PetscScalar entries[6]; PetscFunctionBegin; ierr = TSGetDM(ts,&da);CHKERRQ(ierr); ierr = DMGetLocalVector(da,&localU);CHKERRQ(ierr); ierr = DMDAGetInfo(da,PETSC_IGNORE,&Mx,&My,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE,PETSC_IGNORE);CHKERRQ(ierr); hx = 2.50/(PetscReal)Mx; sx = 1.0/(hx*hx); hy = 2.50/(PetscReal)My; sy = 1.0/(hy*hy); /* Scatter ghost points to local vector,using the 2-step process DMGlobalToLocalBegin(),DMGlobalToLocalEnd(). By placing code between these two statements, computations can be done while messages are in transition.*/ ierr = DMGlobalToLocalBegin(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); ierr = DMGlobalToLocalEnd(da,U,INSERT_VALUES,localU);CHKERRQ(ierr); /* Get pointers to vector data */ ierr = DMDAVecGetArrayRead(da,localU,&u);CHKERRQ(ierr); /* Get local grid boundaries */ ierr = DMDAGetCorners(da,&xs,&ys,NULL,&xm,&ym,NULL);CHKERRQ(ierr); stencil[0].k = 0; stencil[1].k = 0; stencil[2].k = 0; stencil[3].k = 0; stencil[4].k = 0; stencil[5].k = 0; rowstencil.k = 0; /* Compute function over the locally owned part of the grid */ for (j=ys; jD1*(uxx + uyy) - uc*vc*vc + appctx->gamma*(1.0 - uc); */ stencil[0].i = i; stencil[0].c = 0; entries[0] = -appctx->D1*sy; stencil[1].i = i; stencil[1].c = 0; entries[1] = -appctx->D1*sy; stencil[2].i = i-1; stencil[2].c = 0; entries[2] = -appctx->D1*sx; stencil[3].i = i+1; stencil[3].c = 0; entries[3] = -appctx->D1*sx; stencil[4].i = i; stencil[4].c = 0; entries[4] = 2.0*appctx->D1*(sx + sy) + vc*vc + appctx->gamma + a; stencil[5].i = i; stencil[5].c = 1; entries[5] = 2.0*uc*vc; rowstencil.i = i; rowstencil.c = 0; ierr = MatSetValuesStencil(A,1,&rowstencil,6,stencil,entries,INSERT_VALUES);CHKERRQ(ierr); stencil[0].c = 1; entries[0] = -appctx->D2*sy; stencil[1].c = 1; entries[1] = -appctx->D2*sy; stencil[2].c = 1; entries[2] = -appctx->D2*sx; stencil[3].c = 1; entries[3] = -appctx->D2*sx; stencil[4].c = 1; entries[4] = 2.0*appctx->D2*(sx + sy) - 2.0*uc*vc + appctx->gamma + appctx->kappa + a; stencil[5].c = 0; entries[5] = -vc*vc; rowstencil.c = 1; ierr = MatSetValuesStencil(A,1,&rowstencil,6,stencil,entries,INSERT_VALUES);CHKERRQ(ierr); /* f[j][i].v = appctx->D2*(vxx + vyy) + uc*vc*vc - (appctx->gamma + appctx->kappa)*vc; */ } } ierr = PetscLogFlops(19*xm*ym);CHKERRQ(ierr); ierr = DMDAVecRestoreArrayRead(da,localU,&u);CHKERRQ(ierr); ierr = DMRestoreLocalVector(da,&localU);CHKERRQ(ierr); ierr = MatAssemblyBegin(A,MAT_FINAL_ASSEMBLY);CHKERRQ(ierr); ierr = MatAssemblyEnd(A,MAT_FINAL_ASSEMBLY);CHKERRQ(ierr); ierr = MatSetOption(A,MAT_NEW_NONZERO_LOCATION_ERR,PETSC_TRUE);CHKERRQ(ierr); PetscFunctionReturn(0); } /* ------------------------ TAO callbacks ---------------------------- */ /* FormFunctionAndGradient - Evaluates the function and corresponding gradient. Input Parameters: tao - the Tao context P - the input vector ctx - optional user-defined context, as set by TaoSetObjectiveAndGradientRoutine() Output Parameters: f - the newly evaluated function G - the newly evaluated gradient */ PetscErrorCode FormFunctionAndGradient(Tao tao,Vec P,PetscReal *f,Vec G,void *ctx) { AppCtx *appctx = (AppCtx*)ctx; PetscReal soberr,timestep; Vec *lambda; Vec SDiff; DM da; char filename[PETSC_MAX_PATH_LEN]=""; PetscViewer viewer; PetscErrorCode ierr; PetscFunctionBeginUser; ierr = TSSetTime(appctx->ts,0.0);CHKERRQ(ierr); ierr = TSGetTimeStep(appctx->ts,×tep);CHKERRQ(ierr); if (timestep<0) { ierr = TSSetTimeStep(appctx->ts,-timestep);CHKERRQ(ierr); } ierr = TSSetStepNumber(appctx->ts,0);CHKERRQ(ierr); ierr = TSSetFromOptions(appctx->ts);CHKERRQ(ierr); ierr = VecDuplicate(P,&SDiff);CHKERRQ(ierr); ierr = VecCopy(P,appctx->U);CHKERRQ(ierr); ierr = TSGetDM(appctx->ts,&da);CHKERRQ(ierr); *f = 0; ierr = TSSolve(appctx->ts,appctx->U);CHKERRQ(ierr); ierr = PetscSNPrintf(filename,sizeof filename,"ex5opt.ob");CHKERRQ(ierr); ierr = PetscViewerBinaryOpen(PETSC_COMM_WORLD,filename,FILE_MODE_READ,&viewer);CHKERRQ(ierr); ierr = VecLoad(SDiff,viewer);CHKERRQ(ierr); ierr = PetscViewerDestroy(&viewer);CHKERRQ(ierr); ierr = VecAYPX(SDiff,-1.,appctx->U);CHKERRQ(ierr); ierr = VecDot(SDiff,SDiff,&soberr);CHKERRQ(ierr); *f += soberr; ierr = TSGetCostGradients(appctx->ts,NULL,&lambda,NULL);CHKERRQ(ierr); ierr = VecSet(lambda[0],0.0);CHKERRQ(ierr); ierr = InitializeLambda(da,lambda[0],appctx->U,appctx);CHKERRQ(ierr); ierr = TSAdjointSolve(appctx->ts);CHKERRQ(ierr); ierr = VecCopy(lambda[0],G);CHKERRQ(ierr); ierr = VecDestroy(&SDiff);CHKERRQ(ierr); PetscFunctionReturn(0); } /*TEST build: requires: !complex !single test: args: -ts_max_steps 5 -ts_type rk -ts_rk_type 3 -ts_trajectory_type memory -tao_monitor -tao_view -tao_gatol 1e-6 output_file: output/ex5opt_ic_1.out TEST*/