[Ifeffit] inp file - artemis crashing when running feff calc on manually generated inp file
bravel at bnl.gov
Mon Nov 3 13:40:57 CST 2014
The next release of Demeter will interpret RMULTIPLIER sensibly. It
will also fail in this situation (and many others where Feff fails to
run to completion) in a more graceful way.
It is, however, somewhat difficult to capture feff's error messages in a
way that I know will work on all the platforms. Still, a more graceful
failure and a useful message to the Feff console should go a long way
towards making the original problem more understandable.
Stephen: thanks for the bug report.
On 11/03/2014 01:55 PM, Bruce Ravel wrote:
> On 11/03/2014 01:51 PM, Bruce Ravel wrote:
>> Simply shortening the distance, even by 1% via "RMULTIPLIER 0.99"
>> allows Feff to run to completion.
> Except that Artemis does not seem to process the RMULTIPLIER parameter
> correctly. Drat!
> Using the RMULTIPLIER works when running Feff6L from the command line,
> but not when running it from within Artemis. Another thing for the to
> do list!
> In any case, my comment remains the same -- your distances appear to be
> unphysically large.
Bruce Ravel ------------------------------------ bravel at bnl.gov
National Institute of Standards and Technology
Synchrotron Science Group at NSLS-II
Upton NY, 11973
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