[GSAS-II] GSAS-II keep crashes and giving error

[Toby, Brian H.]

Victor, 

A singular matrix means that you are refining variables that cannot be refined, at least not together. For example, if in a single phase refinement you vary the scale factor and the phase fraction together. Since they have the exact same effect on the refinement then they correlate 100% and the Hessian becomes singular (uninvertable). 

Look carefully at what you are refining and remove the offending variable(s) to proceed. 

Brian

> On Jul 7, 2019, at 3:28 PM, Victor Zenou via GSAS-II <gsas-ii at aps.anl.gov> wrote:
> 
> Hi
> I using GSAS-II on windows 10 64 bit home (1809).
> Recently GSAS-II keeps crashing every few runs.
> Sometimes I get an error, without crashing:
> GSAS-II binary directory: C:\Users\Victor\g2conda\GSASII\bindist
> 6 values read from config file C:\Users\Victor\g2conda\GSASII\config.pyc
> Python module versions loaded:
>   Python:     2.7.12
>   wx:         3.0.0.0
>   matplotlib: 1.5.3
>   numpy:      1.11.2
>   scipy:      0.18.1
>   OpenGL:     3.1.1a1
>   PIL.Image:  3.4.2
>   Platform:   win32 64bit AMD64
> This is GSAS-II revision 4054
> 
> loading from file: TiSc02_25C.gpx
> GPX load successful. Last saved with GSAS-II revision 4054
> save to file: TiSc02_25C.gpx
> project save successful
>  Hessian Levenberg-Marquardt SVD refinement on 8 variables:
> C:\Users\Victor\g2conda\GSASII\GSASIIstrMain.py:146: VisibleDeprecationWarning: using a non-integer number instead of an integer will result in an error in the future
>   covMatrix = result[1]*Rvals['GOF']**2
> **** Refinement failed - singular matrix ****
> ****ERROR - Refinement failed
> Traceback (most recent call last):
>   File "C:\Users\Victor\g2conda\GSASII\GSASIIdataGUI.py", line 4633, in OnRefine
>     OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=refPlotUpdate)    #Msg is Rvals dict if Ok=True
>   File "C:\Users\Victor\g2conda\GSASII\GSASIIstrMain.py", line 281, in Refine
>     raise G2obj.G2Exception('****ERROR - Refinement failed')
> GSASIIobj.G2Exception: '****ERROR - Refinement failed'
> 
> 
> Anyone have an idea what's wrong?
> Thanks, Victor
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