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"Abnormal Program Termination" Error message
CharlesCardot #1
User title: Undergraduate
Member since Feb 2020 · 3 posts · Location: USA
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Subject: "Abnormal Program Termination" Error message
Hello everyone

I am an undergraduate student and my PI has asked me to start learning how to use Topas Academic. I've been following the setup tutorial for jEdit and I have installed the plugins and connected it to Topas with inp-setup.bsh.

I have been trying to work through the example Pawley Refinement for Y2O3. I can create the inp file in jedit, and then I send it over to TA from jedit. I see the Lanch Mode: C:\....\d5_00540.inp and when I try to click run I get the error
"Abnormal Program Termination".

I have tried reinstalling jedit and configuring it again, but I still get the same issue. I have also tried running other examples with the same result.

Any help or advice is appreciated
rowlesmr #2
Member since Oct 2011 · 245 posts
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It isn't a jedit error. It's a Topas thing.

Can you post your input file?
Is that the entire error message?


I've just run through that tutorial and it worked.
--
Matthew
This post was edited on 2020-02-23, 07:21 by rowlesmr.
CharlesCardot #3
User title: Undergraduate
Member since Feb 2020 · 3 posts · Location: USA
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'--------------------------------------------------------------
'Input File for simple Rietveld Refinement
'Use save/set current button then run with F6 in topas
'Replace $ and # symbols with text/numbers as needed
'--------------------------------------------------------------

r_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0

'--------------------------------------------------------------
'General information about refinement here
'Remove comments as required
'--------------------------------------------------------------

iters 100000
chi2_convergence_criteria 0.001
'do_errors

'--------------------------------------------------------------
'Information on datafile etc here
'Check that default weighting is appropriate for your data
'--------------------------------------------------------------
xdd d5_00450.RAW
    bkg @ 0 0 0 0 0 0
    'd5000 Bragg Brentano graphite diffracted beam monochromator Cu Ka1/a2 2 line emission
    LP_Factor(!th2_monochromator, 26.6)
    CuKa2(0.0001)
    Zero_Error(zero,0)
    Specimen_Displacement(height,0)
   

    hkl_Is
        PV_Peak_Type(@, 0.02,@, 0.02,@, 0.02,@, 0.02,@, 0.02,@, 0.02)
        Simple_Axial_Model(axial,10)
        phase_name Y2O3
        Cubic(@ 10.6)
        space_group Ia-3
CharlesCardot #4
User title: Undergraduate
Member since Feb 2020 · 3 posts · Location: USA
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Upon startup of Topas from jedit I see Launch Mode C:\Users\Administrator\Downloads\d5_00450_pawley_01.inp

When I click run the first time it says: Exception Caught. Then I click okay and I press the step button. It says "Abnormal program termination.
Load log file for inspection."
I open the log file and get
OPAS-64 Version 6 (c) 1992-2016 Alan A. Coelho
   Maximum number of threads 16

      • Start of expanded input file: C:\Users\Administrator\Downloads\d5_00450_pawley_01.inp ***

                                                              
                                         
                                                     
                                                   
                                                              

r_wp 0 r_exp 0 r_p 0 r_wp_dash 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0

                                                              
                                         
                           
                                                              

iters 100000
chi2_convergence_criteria 0.001
         

                                                              
                                
                                                         
                                                              
xdd d5_00450.RAW
    bkg @ 0 0 0 0 0 0
                                                                                         
    prm !th2_monochromator 26.6 scale_pks = (1 + Cos((!th2_monochromator) 0.01745329251994)^2 Cos(2 Th)^2) / (Sin(Th)^2 Cos(Th));
       lam
      ymin_on_ymax 0.0001
      la 0.653817 lo 1.540596  lh 0.501844
      la 0.346183 lo 1.544493  lh 0.626579
 ymin_on_ymax 0.0001
    prm zero 0 min = Max(Val - 20 Yobs_dx_at(X1), -100 Yobs_dx_at(X1)); max = Min(Val + 20 Yobs_dx_at(X2), 100 Yobs_dx_at(X2)); del = .01 Yobs_dx_at(X1); val_on_continue 0   th2_offset = (zero);
    prm height 0 min = Val-.1; max = Val+.1; del 0.001  th2_offset = -2 57.2957795130823 (height) Cos(Th) / Rs;
   

    hkl_Is
        prm m5e53dd4a_6 0.02 min 0.0001 max = 2 Val + .1; del 0.001 prm m5e53dd4a_7 0.02 min 0.0001 max = 2 Val + .1; del 0.001 prm m5e53dd4a_8 0.02 min 0.0001 max = 2 Val + .1; del 0.001 prm m5e53dd4a_9 0.02 min 0.0001 max 1 del 0.001 prm m5e53dd4a_a 0.02 min 0.0001 max = 2 Val + .1; del 0.001 prm m5e53dd4a_b 0.02 min 0.0001 max = 2 Val + .1; del 0.001 peak_type pv pv_lor = (m5e53dd4a_9) + (m5e53dd4a_a) Tan(Th) + (m5e53dd4a_b) / Cos(Th); pv_fwhm = (m5e53dd4a_6) + (m5e53dd4a_7) Tan(Th) + (m5e53dd4a_8) / Cos(Th);
        prm axial 10 min 0.0001 max 50  circles_conv = -.5 57.2957795130823 ( (axial) / Rs)^2 / Tan(2 Th);
        phase_name Y2O3
        a @ 10.6 b = Get(a); c = Get(a);
        space_group Ia-3
   

      • End of expanded input file: C:\Users\Administrator\Downloads\d5_00450_pawley_01.inp ***
Loading xyz's for ia-3 from file C:\Topas6\sg\ia-3.sg
Number of hkls generated for C:\Topas6\sg\ia-3.sg 208
No parameters to refine for range, setting iters to 0
Number of independent parameters : 0
 Uninitialized_Variable in equation: th2_monochromator
rowlesmr #5
Member since Oct 2011 · 245 posts
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OK.

That makes no sense to me. I copied the text of your input file into notepad, saved it in the same folder as the RAW file, set the input file manually in Topas from the Launch menu, and it all ran fine.

The "exception caught" probably shouldn't be happening.

Can you try doing what I did? Don't use jedit, start from a fresh restart, copy/paste from the browser into notepad...

If that doesn't work, I'd have a pass it on to Alan. Maybe a Topas reinstall?
--
Matthew
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