[petsc-users] TimeStepper norm problems. EMIL Please read this

Barry Smith bsmith at mcs.anl.gov
Fri Mar 20 22:57:10 CDT 2015


 
  Andrew,

   I'm afraid Emil will have to take a look at this and explain it.  The -ts_type beuler and -ts_type theta -ts_theta_theta .5 are stable but the -ts_type cn is not stable. It turns out that -ts_type cn is equivalent to -ts_type theta -ts_theta_theta .5  -ts_theta_endpoint and somehow this endpoint business (which I don't understand) is causing a problem. Meanwhile if I add -ts_theta_adapt to the endpoint one it becomes stable ? Anyways all cases are displayed below.

  Emil,

    What's up with this? Does the endpoint business have a bug or can it not be used for this problem (the matrix A is a function of t.)

  Barry


$ ./ex2  -ts_type cn
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 1
t: 0.03 step: 3 norm-1: 3
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 0
t: 0.03 step: 3 norm-1: 0
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta -ts_theta_theta .5
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 0
t: 0.03 step: 3 norm-1: 0
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta -ts_theta_theta .5  -ts_theta_endpoint
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 1
t: 0.03 step: 3 norm-1: 3
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta -ts_theta_theta .5  -ts_theta_endpoint -ts_theta_adapt
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 0
t: 0.03 step: 3 norm-1: 0
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta -ts_theta_theta .5  -ts_theta_endpoint -ts_theta_adapt -ts_monitor
0 TS dt 0.01 time 0 
t: 0 step: 0 norm-1: 0
0 TS dt 0.01 time 0 
1 TS dt 0.1 time 0.01 
t: 0.01 step: 1 norm-1: 0
1 TS dt 0.1 time 0.01 
2 TS dt 0.1 time 0.02 
t: 0.02 step: 2 norm-1: 0
2 TS dt 0.1 time 0.02 
3 TS dt 0.1 time 0.03 
t: 0.03 step: 3 norm-1: 0
3 TS dt 0.1 time 0.03 
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type theta -ts_theta_theta .5  -ts_theta_endpoint -ts_theta_adapt -ts_monitor -ts_adapt_monitor
0 TS dt 0.01 time 0 
t: 0 step: 0 norm-1: 0
0 TS dt 0.01 time 0 
      TSAdapt 'basic': step   0 accepted t=0          + 1.000e-02 wlte=    0 family='theta' scheme=0:'(null)' dt=1.000e-01 
1 TS dt 0.1 time 0.01 
t: 0.01 step: 1 norm-1: 0
1 TS dt 0.1 time 0.01 
      TSAdapt 'basic': step   1 rejected t=0.01       + 1.000e-01 wlte=1.24e+03 family='theta' scheme=0:'(null)' dt=1.000e-02 
      TSAdapt 'basic': step   1 accepted t=0.01       + 1.000e-02 wlte=    0 family='theta' scheme=0:'(null)' dt=1.000e-01 
2 TS dt 0.1 time 0.02 
t: 0.02 step: 2 norm-1: 0
2 TS dt 0.1 time 0.02 
      TSAdapt 'basic': step   2 rejected t=0.02       + 1.000e-01 wlte=1.24e+03 family='theta' scheme=0:'(null)' dt=1.000e-02 
      TSAdapt 'basic': step   2 accepted t=0.02       + 1.000e-02 wlte=    0 family='theta' scheme=0:'(null)' dt=1.000e-01 
3 TS dt 0.1 time 0.03 
t: 0.03 step: 3 norm-1: 0
3 TS dt 0.1 time 0.03 
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type beuler
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 0
t: 0.03 step: 3 norm-1: 0
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug
$ ./ex2  -ts_type euler
t: 0 step: 0 norm-1: 0
t: 0.01 step: 1 norm-1: 0
t: 0.02 step: 2 norm-1: 0
t: 0.03 step: 3 norm-1: 0
~/Src/petsc/test-dir (barry/more-tchem-work *=) arch-debug


> On Mar 20, 2015, at 10:18 PM, Andrew Spott <ansp6066 at colorado.edu> wrote:
> 
> here are the data files.
> 
> dipole_matrix.dat:
> https://www.dropbox.com/s/2ahkljzt6oo9bdr/dipole_matrix.dat?dl=0
> 
> energy_eigenvalues_vector.dat
> https://www.dropbox.com/s/sb59q38vqvjoypk/energy_eigenvalues_vector.dat?dl=0
> 
> -Andrew
> 
> 
> 
> On Fri, Mar 20, 2015 at 7:25 PM, Barry Smith <bsmith at mcs.anl.gov> wrote:
> 
> Data files are needed 
> 
> PetscViewerBinaryOpen( PETSC_COMM_WORLD, "hamiltonian/energy_eigenvalues_vector.dat", FILE_MODE_READ, &view ); 
> VecLoad( H0, view ); 
> PetscViewerBinaryOpen( PETSC_COMM_WORLD, "hamiltonian/dipole_matrix.dat", FILE_MODE_READ, &view ); 
> 
> BTW: You do not need to call Mat/VecAssembly on Mats and Vecs after they have been loaded. 
> 
> Barry 
> 
> 
> > On Mar 20, 2015, at 6:39 PM, Andrew Spott <ansp6066 at colorado.edu> wrote: 
> > 
> > Sorry it took so long, I wanted to create a “reduced” case (without all my parameter handling and other stuff…) 
> > 
> > https://gist.github.com/spott/aea8070f35e79e7249e6 
> > 
> > The first section does it using the time stepper. The second section does it by explicitly doing the steps. The output is: 
> > 
> > //first section, using TimeStepper: 
> > t: 0 step: 0 norm-1: 0 
> > t: 0.01 step: 1 norm-1: 0 
> > t: 0.02 step: 2 norm-1: 0.999995 
> > t: 0.03 step: 3 norm-1: 2.99998 
> > 
> > //Second section, using explicit code. 
> > t: 0.01 norm-1: 0 
> > t: 0.02 norm-1: 0 
> > t: 0.02 norm-1: 2.22045e-16 
> > 
> > 
> > 
> > On Fri, Mar 20, 2015 at 4:45 PM, Barry Smith <bsmith at mcs.anl.gov> wrote: 
> > 
> > Andrew, 
> > 
> > Send your entire code. It will be easier and faster than talking past each other. 
> > 
> > Barry 
> > 
> > > On Mar 20, 2015, at 5:00 PM, Andrew Spott <ansp6066 at colorado.edu> wrote: 
> > > 
> > > I’m sorry, I’m not trying to be difficult, but I’m not following. 
> > > 
> > > The manual states (for my special case): 
> > > • u ̇ = A(t)u. Use 
> > > 
> > > TSSetProblemType(ts,TS LINEAR); TSSetRHSFunction(ts,NULL,TSComputeRHSFunctionLinear,NULL); TSSetRHSJacobian(ts,A,A,YourComputeRHSJacobian,&appctx); 
> > > 
> > > where YourComputeRHSJacobian() is a function you provide that computes A as a function of time. Or use ... 
> > > My `func` does this. It is 7 lines: 
> > > 
> > > context* c = static_cast<context*>( G_u ); 
> > > PetscScalar e = c->E( t_ ); 
> > > MatCopy( c->D, A, SAME_NONZERO_PATTERN ); 
> > > MatShift( A, e ); 
> > > MatDiagonalSet( A, c->H0, INSERT_VALUES); 
> > > MatShift( A, std::complex<double>( 0, -1 ) ); 
> > > return 0; 
> > > 
> > > SHOULD `func` touch U? If so, what should `func` do to U? I thought that the RHSJacobian function was only meant to create A, since dG/du = A(t) (for this special case). 
> > > 
> > > -Andrew 
> > > 
> > > 
> > > 
> > > On Fri, Mar 20, 2015 at 3:26 PM, Matthew Knepley <knepley at gmail.com> wrote: 
> > > 
> > > On Fri, Mar 20, 2015 at 3:09 PM, Andrew Spott <ansp6066 at colorado.edu> wrote: 
> > > So, it doesn’t seem that zeroing the given vector in the function passed to TSSetRHSJacobian is the problem. When I do that, it just zeros out the solution. 
> > > 
> > > I would think you would zero the residual vector (if you add to it to construct the residual, as in FEM methods), not the solution. 
> > > 
> > > The function that is passed to TSSetRHSJacobian has only one responsibility — to create the jacobian — correct? In my case this is A(t). The solution vector is given for when you are solving nonlinear problems (A(t) also depends on U(t)). In my case, I don’t even look at the solution vector (because my A(t) doesn’t depend on it). 
> > > 
> > > Are you initializing the Jacobian to 0 first? 
> > > 
> > > Thanks, 
> > > 
> > > Matt 
> > > 
> > > Is this the case? or is there some other responsibility of said function? 
> > > 
> > > -Andrew 
> > > 
> > > >Ah ha! 
> > > > 
> > > >The function passed to TSSetRHSJacobian needs to zero the solution vector? 
> > > > 
> > > >As a point, this isn’t mentioned in any documentation that I can find. 
> > > > 
> > > >-Andrew 
> > > 
> > > On Friday, Mar 20, 2015 at 2:17 PM, Matthew Knepley <knepley at gmail.com>, wrote: 
> > > This sounds like a problem in your calculation function where a Vec or Mat does not get reset to 0, but it does in your by hand code. 
> > > 
> > > Matt 
> > > 
> > > On Mar 20, 2015 2:52 PM, "Andrew Spott" <ansp6066 at colorado.edu> wrote: 
> > > I have a fairly simple problem that I’m trying to timestep: 
> > > 
> > > u’ = A(t) u 
> > > 
> > > I’m using the crank-nicholson method, which I understand (for this problem) to be: 
> > > 
> > > u(t + h) = u(t) + h/2[A(t+h)*u(t+h) + A(t)*u(t)] 
> > > or 
> > > [1 - h/2 * A(t+1)] u(t+1) = [1 + h/2 * A(t)] u(t) 
> > > 
> > > When I attempt to timestep using PETSc, the norm of `u` blows up. When I do it directly (using the above), the norm of `u` doesn’t blow up. 
> > > 
> > > It is important to note that the solution generated after the first step is identical for both, but the second step for Petsc has a norm of ~2, while for the directly calculated version it is ~1. The third step for petsc has a norm of ~4, while the directly calculated version it is still ~1. 
> > > 
> > > I’m not sure what I’m doing wrong. 
> > > 
> > > PETSc code is taken out of the manual and is pretty simple: 
> > > 
> > > TSCreate( comm, &ts ); 
> > > TSSetProblemType( ts, TS_LINEAR); 
> > > TSSetType( ts, TSCN ); 
> > > TSSetInitialTimeStep( ts, 0, 0.01 ); 
> > > TSSetDuration( ts, 5, 0.03 ); 
> > > TSSetFromOptions( ts ); 
> > > TSSetRHSFunction( ts, NULL, TSComputeRHSFunctionLinear, NULL ); 
> > > TSSetRHSJacobian( ts, A, A, func, &cntx ); 
> > > TSSolve( ts, psi0 ); 
> > > 
> > > `func` just constructs A(t) at the time given. The same code for calculating A(t) is used in both calculations, along with the same initial vector psi0, and the same time steps. 
> > > 
> > > Let me know what other information is needed. I’m not sure what could be the problem. `func` doesn’t touch U at all (should it?). 
> > > 
> > > -Andrew 
> > > 
> > > 
> > > 
> > > 
> > > -- 
> > > What most experimenters take for granted before they begin their experiments is infinitely more interesting than any results to which their experiments lead. 
> > > -- Norbert Wiener 
> > > 
> > 
> > 
> > 
> 
> 
> 



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