[GSAS-II] GSAS-II keep crashes and giving error
Von Dreele, Robert B.
vondreele at anl.gov
Sun Jul 7 15:59:52 CDT 2019
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
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From: Victor Zenou via GSAS-II<mailto:gsas-ii at aps.anl.gov>
Sent: Sunday, July 7, 2019 2:27 PM
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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
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