[Ifeffit] Artemis: Error in laoding additional FEFF paths?

Carlo U. Segre segre at iit.edu
Thu Jun 10 23:54:13 CDT 2004


Let me add one more thing, if I start from scratch with and load the
ZnO.chi, then the first 10 FEFF paths and then try to add an additional
path, in v034, there is no trapped warning (unlike when I loades Scott's
project file) but v036 still freezes.

Carlo

On Thu, 10 Jun 2004, Carlo U. Segre wrote:

>
> Paul:
>
> Thanks for the details.
>
> I tried reverting back to previous versions until the ZnO tutorial
> "worked".  I found that version 035 freezes like version 036 but version
> 034 seems to work OK.
>
> However, when I looked at the echo buffer, I noticed that despite
> apparently loading the new paths without any problem, there was a trapped
> error.  It is a bit different than the one I get from v035 and v036 and it
> is a warning that does not crash the program, however, it does indicate
> that something is not quite right.  Not that in the echo buffer, the
> loading of a path eventually reports an "Adding FEFF0 ... done!".  This
> did not seem to be in Paul's file.
>
> Finally, just to remove doubt about my Debian packages, I did a local
> install of v036 and the crash that I reported earlier still occurs albeit
> with a slightly different message than  the original one I reported.  In
> this case the error happened in the "main::add_a_path" routine, just like
> the non-fatal error in v034 reported below whereas in my Debian package
> version, the error is in "main::read_feff".
>
> Clearly there is some inconsistency here.
>
> Carlo
>
>
> --------------- Echo Buffer --------------------
> Running fit (this could take a few minutes, please be patient) ...
> amp = 0.906536 +/- 0.109976
> Writing log file ...
> Running fit ... done!
> Artemis trapped a warning!  Message dumped to
> /home/segre/.horae/stash/ARTEMIS.TRAP
> Artemis trapped a warning!  Message dumped to
> /home/segre/.horae/stash/ARTEMIS.TRAP
> Adding FEFF0 ...
> "/home/segre/.horae/stash/artemis.project.0/data0.feff0/feff0025.dat" had
> Macintosh EOL characters and was fixed.
> Adding FEFF0 ... done!
> Artemis trapped a warning!  Message dumped to
> /home/segre/.horae/stash/ARTEMIS.TRAP
> Artemis trapped a warning!  Message dumped to
> /home/segre/.horae/stash/ARTEMIS.TRAP
> Adding FEFF0 ...
> "/home/segre/.horae/stash/artemis.project.0/data0.feff0/feff0028.dat" had
> Macintosh EOL characters and was fixed.
> Adding FEFF0 ... done!
>
> and
>
> ------------------ ARTEMIS.TRAP -----------------
> # Artemis 0.7.004
> # This file created at 23:11:44 on 10 June, 2004
> # using linux, perl 5.008004, Tk 800.025, and Ifeffit 1.2.5
> # Workspace: /home/segre/.horae/stash/artemis.project.0/
>
>
>
> The following message was trapped by Artemis on a SIGWARN:
>
> Artemis0.7.004warn/home/segre/.horae/stash/ARTEMIS.TRAPCODE(0x963f3dc)/home/segre/.horae/stash/artemis.project.0/
> at /usr/bin/artemis line 1551
>         main::__ANON__('Use of uninitialized value in string eq at
> /usr/bin/artemis l...') called at /usr/bin/artemis line 5895
>
> main::add_a_path('/home/segre/.horae/stash/artemis.project.0/data0.feff0/feff00...',
> 1, 0) called at /usr/bin/artemis line 3917
>         main::__ANON__() called at /usr/lib/perl5/Tk.pm line 225
>         eval {...} called at /usr/lib/perl5/Tk.pm line 225
>         Tk::__ANON__('Tk::Menu=HASH(0x9b2acac)', 'active') called at
> /usr/lib/perl5/Tk/Menu.pm line 531
>         Tk::Menu::Invoke('Tk::Menu=HASH(0x9b2acac)', 1) called at
> /usr/lib/perl5/Tk.pm line 347
>         eval {...} called at /usr/lib/perl5/Tk.pm line 347
>         Tk::MainLoop() called at /usr/bin/artemis line 1695
> ------------------------------------------------------------------
>
>
>
>
>
>
> On Fri, 11 Jun 2004, Paul Fons wrote:
>
> > I thought I would add some more confusion to the issue and mention that
> > on my system (Mac 10.3.4 with perl 5.008001, Artemis 0.7.006,
> > Tk804.027, and Ifeffit 1.2.5 -- as reported in the properties window of
> > artemis) I am *not* having any problems opening the ZnO3.apj project
> > under horae-036/Examples.  The specific procedure I used was to start
> > artemis, load the project ZnO3.apj. I then plotted the FT os some of
> > the loaded paths and did a fit.  I then loaded the additional paths 10
> > & 11 did a fit without error and finally loaded paths 25 and 28 and
> > also did a fit without error (or a Trap file being generated).  Note I
> > loaded the additional files from the
> > ...horae/stash/artemis.project.1/data0.feff0 folder which was the current
> > directory when I selected add a feff path from the FEFF menu as the
> > journal entry said.
> >     This would seem to imply that the problems that was being reported
> > by Stefano and Carlo are not unavoidable but may stem from some detail
> > of the library being used or some other fixable entity.  Since it works
> > on my machine without error, perhaps we can track things down by
> > looking at the details...
> > I have tacked on the echo buffer as well as the results buffer from the
> > ZnO3.apj after I followed the tutorial's advice and added the
> > additional single scattering paths.  Note I added the feff paths from
> > the .horae/stash folder.  Is there any obvious difference that might
> > help track down the problem -- e.g. the path names or somesuch?
> >
> >
> > 								Paul
> >
> > Here is a copy of the echo buffer:
> >
> > Showing new GDS page
> > Using Ifeffit 1.2.5 Copyright (c) 2004 Matt Newville, Univ of Chicago
> > Artemis may be freely redistributed under the terms of its license.
> > Artemis comes with absolutely NO WARRANTY.
> > HINT: A def parameter's math expression is stored and updated
> > throughout a fit.
> > Opening project zipfile
> > /Users/paulfons/Ports/horae-036/examples/artemis/ZnO/ZnO3.apj ...
> > Opening project zipfile ZnO3.apj ... done!
> > Importing atoms.inp file ...
> > Importing atoms.inp file ... done!
> > Doing intrp for FEFF0 ...
> > Doing intrp for FEFF0 ... done!
> > amp:
> > Plotting in r space ...
> > Plotting in r space ...  done!
> > Opened project file
> > `/Users/paulfons/.horae/stash/artemis.project.1/descriptions/artemis'.
> > Plotting in r space ...
> > Plotting in r space ...  done!
> > Running fit (this could take a few minutes, please be patient) ...
> > amp = 1.102200 +/- 0.222995
> > Writing log file ...
> > Running fit ... done!
> > Plotting in r space ...
> > Plotting in r space ...  done!
> > Running fit (this could take a few minutes, please be patient) ...
> > amp = 0.907452 +/- 0.110477
> > Writing log file ...
> > Running fit ... done!
> > Plotting in r space ...
> > Plotting in r space ...  done!
> > "/Users/paulfons/.horae/stash/artemis.project.1/data0.feff1/
> > feff0025.dat" had Macintosh EOL characters and was fixed.
> > "/Users/paulfons/.horae/stash/artemis.project.1/data0.feff1/
> > feff0028.dat" had Macintosh EOL characters and was fixed.
> > Running fit (this could take a few minutes, please be patient) ...
> > amp = 0.911856 +/- 0.106227
> > Writing log file ...
> > Running fit ... done!
> >
>
>

-- 
Carlo U. Segre -- Professor of Physics
Associate Dean for Special Projects, Graduate College
Illinois Institute of Technology
Voice: 312.567.3498            Fax: 312.567.3494
segre at agni.phys.iit.edu    http://www.iit.edu/~segre



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