refinement fails with zero cycles

AdvancedPhotonSource / GSAS-II

Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials

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refinement fails with zero cycles #45

Closed briantoby closed 4 months ago

briantoby commented 4 months ago

Both in scripting and from GUI, if the number of cycles is zero, one gets an error:

****ERROR - Refinement failed
Traceback (most recent call last):
  File "/Users/toby/G2/git/g2full/GSAS-II/GSASII/GSASIIstrMain.py", line 599, in Refine
    raise G2obj.G2Exception('**** ERROR: Refinement failed ****')
GSASIIobj.G2Exception: '**** ERROR: Refinement failed ****'

 ***** Refinement error *****

briantoby commented 4 months ago

~~Seeing two problems: the default refinement type seems to be analytic Hessian rather than Hessian SVD (expected). Is this for only scripting or from GUI?~~ (nope: analytic Hessian is correct default)

Also, "analytic Hessian" is producing an error on zero cycles -- has this has been true for a while? ~~(always?)~~. Must have worked at one time as simulation scripting example is now broken.

briantoby commented 4 months ago

Fixed in https://github.com/AdvancedPhotonSource/GSAS-II/commit/8f96cdcd498d8fd49a5bb6676aac6770c80a88d2