Re: two questions: hybrid analysis and convergence problems -- June 25, 2007 - 16:11

Hi Edward,

Once I figure out how to print the AIC and k values, I will send them  
along.  If you have a script example of this, it will save me some  
time [I've been working on this for an hour or so now without any luck].

Doug


On Jun 25, 2007, at 9:01 AM, Edward d'Auvergne wrote:

> Hi,
>
> Would you be able to print the AIC and k values as well?  k is the
> number of parameters in the model.  The places where the chi-squared
> value increases rather than decreases is because of a collapse in
> model complexity.  If you plot the chi2, AIC, and k values verses
> iteration number, like I did in my thesis in figures 7.3 and 7.4
> (http://eprints.infodiv.unimelb.edu.au/archive/00002799/), you'll see
> what is happening there.  The plots should help in figuring out
> exactly what is happening.
>
> Regards,
>
> Edward
>
>
> On 6/25/07, Douglas Kojetin <douglas.kojetin@xxxxxxxxx> wrote:
> > Update:  I figured out the problem.  I needed to use the 'opt'
> > directory for the results.read() call, not 'aic':
> >
> > #--start of GOOD code
> > import glob
> > runs = glob.glob('prolate/round_*')
> >
> > # Loop over the runs.
> > for name in runs:
> >      print name
> >      run.create(name, 'mf')
> >      results.read(run=name, file='results', dir=name+'/opt')
> >      chisq=self.relax.data.chi2[name]
> >      print "%s: %1.10f" % (name, chisq)
> > #--end
> >
> > Here is the list of chi2 values.  I used 30 decimal points for the
> > chi2 values -- let me know if you would like something different.
> >
> > """
> > prolate/round_1: 785.330531871414336819725576788187
> > prolate/round_2: 786.656854782415166482678614556789
> > prolate/round_3: 784.104495289329975094005931168795
> > prolate/round_4: 783.543316702498373160779010504484
> > prolate/round_5: 786.500523476859029869956430047750
> > prolate/round_6: 784.433290432082458210061304271221
> > prolate/round_7: 786.264734828735640803643036633730
> > prolate/round_8: 785.887140331052023611846379935741
> > prolate/round_9: 785.887140331170371609914582222700
> > prolate/round_10: 785.887140331282466831908095628023
> > prolate/round_11: 785.887140331283262639772146940231
> > prolate/round_12: 785.887140331282807892421260476112
> > prolate/round_13: 785.887140331283376326609868556261
> > prolate/round_14: 785.887140331282921579258982092142
> > prolate/round_15: 785.887140331282353145070374011993
> > prolate/round_16: 785.887140331283262639772146940231
> > prolate/round_17: 785.887140331052364672359544783831
> > prolate/round_18: 785.887140331284172134473919868469
> > prolate/round_19: 785.887140331283262639772146940231
> > prolate/round_20: 785.887140331282694205583538860083
> > prolate/round_21: 785.887140331284967942337971180677
> > prolate/round_22: 785.887140331337491261365357786417
> > prolate/round_23: 785.887140331283944760798476636410
> > prolate/round_24: 785.887140331283376326609868556261
> > prolate/round_25: 785.887140331282921579258982092142
> > prolate/round_26: 785.887140331282353145070374011993
> > prolate/round_27: 785.887140331283262639772146940231
> > prolate/round_28: 785.887140331052364672359544783831
> > prolate/round_29: 785.887140331284172134473919868469
> > prolate/round_30: 785.887140331283262639772146940231
> > prolate/round_31: 785.887140331282694205583538860083
> > """
> >
> >
> > On Jun 25, 2007, at 3:10 AM, Edward d'Auvergne wrote:
> >
> > > On 6/25/07, Douglas Kojetin <douglas.kojetin@xxxxxxxxx> wrote:
> > >> Hi Edward,
> > >>
> > >> I'm trying to write a script to calculate the chisq values for  
> > each
> > >> of the prolate rounds, but I'm having some trouble as I'm not 100%
> > >> familiar with the relax subroutines.
> > >
> > > Your code is almost there.  I think I know where the script failed
> > > though.
> > >
> > >
> > >> #--start
> > >> import glob
> > >> runs = glob.glob('prolate/round_*')
> > >>
> > >> # Loop over the runs.
> > >> for name in runs:
> > >>      name=name+'/aic'
> > >>      run.create(name, 'mf')
> > >>      results.read(name)
> > >
> > > This should all be ok.
> > >
> > >>      chi2=self.relax.data.chi2[run]
> > >
> > > Here the 'run' variable should be replaced by 'name'.
> > >
> > >
> > >>      print "%s: %1.20f" % (name, chi2)
> > >>
> > >> #--end
> > >
> > > This should also work.
> > >
> > >
> > >> But this does not seem to work.  Can someone help me with the  
> > proper
> > >> code to extract chisq values from multiple runs?
> > >
> > > If the script fails with the fix, would you be able to attach a  
> > print
> > > out of the error message to help in solving where the script  
> > failed?
> > >
> > > Cheers,
> > >
> > > Edward