[GSAS-II] BUG report: error thrown in refinement

[Ivo Alxneit]

Dear all

I get the following error in my refinement(s) as soon as I switch to
"analytic jacobian" in the controls menue.

Traceback (most recent call last):
  File "/fast_home/alxneit/GSAS-II/GSASIIdataGUI.py", line 4320, in OnRefine
    OK,Msg = G2stMn.Refine(self.GSASprojectfile,dlg)    #Msg is Rvals
dict if Ok=True
  File "/fast_home/alxneit/GSAS-II/GSASIIstrMain.py", line 216, in Refine

rigidbodyDict,parmDict,varyList,calcControls,pawleyLookup,ifPrint,printFile,dlg)
  File "/fast_home/alxneit/GSAS-II/GSASIIstrMain.py", line 72, in RefineCore

args=([Histograms,Phases,restraintDict,rigidbodyDict],parmDict,varyList,calcControls,pawleyLookup,dlg))
  File
"/fast_home/alxneit/miniconda3/envs/gsas/lib/python2.7/site-packages/scipy/optimize/minpack.py",
line 390, in leastsq
    _check_func('leastsq', 'Dfun', Dfun, x0, args, n, (n, m))
  File
"/fast_home/alxneit/miniconda3/envs/gsas/lib/python2.7/site-packages/scipy/optimize/minpack.py",
line 40, in _check_func
    raise TypeError(msg)
TypeError: leastsq: there is a mismatch between the input and output
shape of the 'Dfun' argument 'dervRefine'.Shape should be (28, 22640)
but it is (28, 45280).

My setup

GSAS-II binary directory: /fast_home/alxneit/GSAS-II/bin
4 values read from config file /fast_home/alxneit/GSAS-II/config.py
Python module versions loaded:
  Python:      2.7.14
  wx:          3.0.0.0
  matplotlib:  2.0.2
  numpy:       1.13.3
  scipy:       0.19.1
  OpenGL:      3.1.1a1
  PIL.Image:   1.1.7
  Platform:    linux2 64bit x86_64
This is GSAS-II revision 3135


The .gpx file is available at

https://app.box.com/s/0x82g4nkspwnwstjyb3g3raz9hbyvc4f

greetings
-- 
Dr. Ivo Alxneit
Catalysis for Energy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/ceg/

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