<div dir="rtl"><div dir="ltr">Dear Brian and Bob</div><div dir="ltr">I'm working on a file called "TiSc02_25C, which have 2 phases: anatase and Pt sample holder. I still get errors:</div><div dir="ltr"><br></div><div dir="ltr">loading from file: TiSc02_25C.bak117.gpx<br>GPX load successful. Last saved with GSAS-II revision 3270<br>save to file: D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.gpx<br>project save successful<br>save to file: D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.gpx<br>project save successful<br> Hessian Levenberg-Marquardt SVD refinement on 13 variables:<br>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<br> covMatrix = result[1]*Rvals['GOF']**2<br>**** Refinement failed - singular matrix ****<br>****ERROR - Refinement failed<br>Traceback (most recent call last):<br> File "C:\Users\Victor\g2conda\GSASII\GSASIIdataGUI.py", line 4633, in OnRefine<br> OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=refPlotUpdate) #Msg is Rvals dict if Ok=True<br> File "C:\Users\Victor\g2conda\GSASII\GSASIIstrMain.py", line 281, in Refine<br> raise G2obj.G2Exception('****ERROR - Refinement failed')<br>GSASIIobj.G2Exception: '****ERROR - Refinement failed'<br><br>I used "analytical Jacbian" and got:<br>GSASIIobj.G2Exception: '****ERROR - Refinement failed'<br>save to file: D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.gpx<br>project save successful<br>**** Refinement failed - singular matrix ****<br>Removing parameter: 1::AUiso:0<br>Read from file:D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.bak125.gpx<br>Save to file :D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.gpx<br>GPX file save successful<br> Refinement results are in file: D:\2019k\collaborations\_Snejana\GSASII_MyWork\HTXRD\TiSc02_25\TiSc02_25C.lst<br> ***** Refinement successful *****<br>GPX load successful. Last saved with GSAS-II revision 4057<br><br>I removed the parameter: "1::AUiso:0", meaning I don't refine it and got off the contraint Uiso(Ti1)=Uiso(Sc1) <br><br>What see to be the problem?</div><div dir="ltr">Attached the gpx file.<br>Thanks, Victor<br></div><div dir="ltr"><br></div><div dir="ltr"><br></div><br><div class="gmail_quote"><div dir="rtl" class="gmail_attr">בתאריך יום א׳, 7 ביולי 2019 ב-22:59 מאת Von Dreele, Robert B. <<a href="mailto:vondreele@anl.gov" target="_blank">vondreele@anl.gov</a>>:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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<div class="m_6581616676905360025m_6055492284202117808gmail-m_6250708079585383774WordSection1">
<p class="MsoNormal">Victor,</p>
<p class="MsoNormal">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.</p>
<p class="MsoNormal">Bob </p>
<p class="MsoNormal"><u></u> <u></u></p>
<p class="MsoNormal">Sent from <a href="https://go.microsoft.com/fwlink/?LinkId=550986" target="_blank">
Mail</a> for Windows 10</p>
<p class="MsoNormal"><u></u> <u></u></p>
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<p class="MsoNormal" style="border:none;padding:0in"><b>From: </b><a href="mailto:gsas-ii@aps.anl.gov" target="_blank">Victor Zenou via GSAS-II</a><br>
<b>Sent: </b>Sunday, July 7, 2019 2:27 PM<br>
<b>To: </b><a href="mailto:gsas-ii-request@aps.anl.gov" target="_blank">gsas-ii-request@aps.anl.gov</a>;
<a href="mailto:gsas-ii@aps.anl.gov" target="_blank">gsas-ii@aps.anl.gov</a><br>
<b>Subject: </b>[GSAS-II] GSAS-II keep crashes and giving error</p>
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<p class="MsoNormal"><u></u> <u></u></p>
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<div dir="ltr">Hi</div>
<div dir="ltr">I using GSAS-II on windows 10 64 bit home (1809).</div>
<div dir="ltr">Recently GSAS-II keeps crashing every few runs.</div>
<div dir="ltr">Sometimes I get an error, without crashing:</div>
<div dir="ltr">GSAS-II binary directory: C:\Users\Victor\g2conda\GSASII\bindist<br>
6 values read from config file C:\Users\Victor\g2conda\GSASII\config.pyc<br>
Python module versions loaded:<br>
Python: 2.7.12<br>
wx: 3.0.0.0<br>
matplotlib: 1.5.3<br>
numpy: 1.11.2<br>
scipy: 0.18.1<br>
OpenGL: 3.1.1a1<br>
PIL.Image: 3.4.2<br>
Platform: win32 64bit AMD64<br>
This is GSAS-II revision 4054<br>
<br>
loading from file: TiSc02_25C.gpx<br>
GPX load successful. Last saved with GSAS-II revision 4054<br>
save to file: TiSc02_25C.gpx<br>
project save successful<br>
Hessian Levenberg-Marquardt SVD refinement on 8 variables:<br>
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<br>
covMatrix = result[1]*Rvals['GOF']**2<br>
**** Refinement failed - singular matrix ****<br>
****ERROR - Refinement failed<br>
Traceback (most recent call last):<br>
File "C:\Users\Victor\g2conda\GSASII\GSASIIdataGUI.py", line 4633, in OnRefine<br>
OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg,refPlotUpdate=refPlotUpdate) #Msg is Rvals dict if Ok=True<br>
File "C:\Users\Victor\g2conda\GSASII\GSASIIstrMain.py", line 281, in Refine<br>
raise G2obj.G2Exception('****ERROR - Refinement failed')<br>
GSASIIobj.G2Exception: '****ERROR - Refinement failed'<br>
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<div dir="ltr">Anyone have an idea what's wrong?</div>
<div dir="ltr">Thanks, Victor</div>
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