• topas
  • Error - "Abnormal in refinement - please contact author"

Hello
Yesterday I started getting this error message in all my refinements - even for files that were previously working fine. It gets to the first line of the refinement - the 0th iteration - then stops.

I have not changed anything at all in my Topas directory, as far as I know. I'm running version 7.20.

Can anyone help me out here?

Here's my inp file for a Silicon std - this used to work but like all my inp files doesn't anymore - I don't think the issue is with anything in the file or it would never have worked to begin with.

`

r_wp  16.3065596 r_exp  10.947665 r_p  11.8137408 r_wp_dash  18.7662176 r_p_dash  14.8287291 r_exp_dash  12.598995 weighted_Durbin_Watson  1.23008445 gof  1.48950115
chi2_convergence_criteria 0.001 
iters 0  
do_errors
  
xdd Si_Std_28.02.23.xy 

               x_calculation_step = Yobs_dx_at(Xo); convolution_step 4  
bkg @  23.7172095` -19.0551474`  14.1028946` -7.37602048`  3.10967774` -1.54147731`
 
Simple_Axial_Model(@, 0.694684112`) 
LP_Factor(!th2_monochromator, 27.26) 
lam 
ymin_on_ymax 0.0001 
	la 1 lo @  1.5403320` lh 0.4
 
Zero_Error(zero, 0.025646754`) 

Specimen_Displacement(!disp,-0.000930739737_0.000989535195)

str 
	phase_name "Silicon" 
	a 5.4311946   
	b 5.4311946   
	c 5.4311946   
	al 90        
	be 90        
	ga 90        
	volume  160.209  
	space_group Fd-3m 
	site Si1    x 0            y 0            z 0            occ Si 1         beq @  0.73194`
 
	scale @  0.00262469361`
	r_bragg  3.9633135
	TCHZ_Peak_Type(pku,-0.00243494799`, pkv,  0.000574130893`, pkw, -0.00236711729`, !pkz, 7.34172264e-07_0.0595967289, pkx, 0.0263910666`, pky, 0.00242196777`) 
	Phase_Density_g_on_cm3( 2.32881746)`

    The INP file is fine. Is it a licence issue? Have you e.g. changed the folder that topas sits in?

    Unlikely to be the problem, but you could delete the relevant .sg file from the topas sg directory and try again.