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. <[email protected]>: > 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:[email protected]> > Sent: Sunday, July 7, 2019 2:27 PM > To: [email protected]<mailto:[email protected]>; > [email protected]<mailto:[email protected]> > 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 > _______________________________________________ GSAS-II mailing list [email protected] https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
