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

[Victor Zenou]

Hi
Thanks for the prompt reply
I repeated old calculations and tried to improve them a little more
one problem is carshing of GSAS-II
Maybe I neeed to re-instal it via g2conda as it is now?
about singular matrix I will check that again, I don't think I use
conflicting parameters
I will also try Jacobian method
Thanks, Victor


2019-07-07 23:59 GMT‎+03:00‎, Von Dreele, Robert B. <vondreele at anl.gov>:
> Victor,
> As Brian noted you have a singular matrix issue and the refinement thus
> fails. The Hessian refinement option is designed to immediately fail with
> the error you see. Alternatively, you can use the Jacobian method (see
> Controls). This will respond to the singular matrix by removing one of the
> offending parameters and then continuing the refinement. Look at the
> console; the listing will identify the bad parameter.
> Bob
>
> Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows
> 10
>
> From: Victor Zenou via GSAS-II<mailto:gsas-ii at aps.anl.gov>
> Sent: Sunday, July 7, 2019 2:27 PM
> To: gsas-ii-request at aps.anl.gov<mailto:gsas-ii-request at aps.anl.gov>;
> gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>
> Subject: [GSAS-II] GSAS-II keep crashes and giving error
>
> 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
>