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 <[email protected]> > 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 > _______________________________________________ > GSAS-II mailing list > [email protected] > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii _______________________________________________ GSAS-II mailing list [email protected] https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
