[Ifeffit] odd feff6 behavior
bravel at anl.gov
Sat Jun 11 10:29:59 CDT 2005
On Friday 10 June 2005 18:32, Matt Newville wrote:
> But: I think the real problem ist that feff6l stops completely
> with a cryptic Fatal Error message when it exceeds np1x paths
> (even Bruce couldn't decipher it!?!).
Thank you, Matt, for understanding the point of my question. I can, after
all, read Fortran just as well as Anatoly.
The issues are (1) the error message conveyed no information and (2) the code
is uncommented and so failed to convey clear information.
What is np1x?
Why is it set to it's value?
What the purpose of the test being done at that point in pathsd.f?
The input data I used was not unusual, so what was it about the
situation I posted that triggered the problem?
Why haven't we seen that warning a million times before?
I am still at least a bit interested in some better answers than what I was
able to glean from the error message, the code, or any of the posts in
response to my question.
Bruce Ravel ----------------------------------- bravel at anl.gov -or-
ravel at phys.washington.edu
Environmental Research Division, Building 203, Room E-165
Argonne National Laboratory phone and voice mail: (1) 630 252 5033
Argonne IL 60439, USA fax: (1) 630 252 9793
My homepage: http://feff.phys.washington.edu/~ravel
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