[Ifeffit] Artemis error message
Paul Fons
paul-fons at aist.go.jp
Sat Sep 9 12:58:20 CDT 2006
rdinp is the input routine for feff -- the error message means that
for some reason feff6 could not open the input file (e.g. feff is
running correctly and cannot find the input file). Now in the echo
area, artemis claims the feff.inp file is being created. feff will
attempt to open an "feff.inp" file from the directory in which it is
invoked (e.g. something like:
ls -l ~/.horae/stash/artemis.project.1/data0.feff3:
total 776
drwxr-xr-x 41 paulfons paulfons 1394 Sep 5 19:07 ./
drwxr-xr-x 13 paulfons paulfons 442 Sep 5 19:07 ../
-rw-r--r-- 1 paulfons paulfons 701 Sep 5 19:07 atoms.inp
-rw-r--r-- 1 paulfons paulfons 6388 Sep 5 19:07 feff.inp
-rw-r--r-- 1 paulfons paulfons 7228 Sep 5 19:07 feff.run
-rw-r--r-- 1 paulfons paulfons 4666 Sep 5 19:07 feff0001.dat
-rw-r--r-- 1 paulfons paulfons 4666 Sep 5 19:07 feff0002.dat
You must be in this directory for feff to work (e.g. from the
terminal). You might try this and see what happens. Otherwise, the
error message for feff is correct -- there probably was no feff.inp
in the directory you ran it from. I am still not clear on the cause
though.
Paul
On Sep 9, 2006, at 11:37 PM, Stefano Ciurli wrote:
> Hello Matt and Paul,
>
> I verified the following:
>
> 1) here is the error message in the echo window
>
> Preparing to run FEFF ...
> Performing autosave ...
> Saving feff.inp file
> Performing autosave ... done!
> Running feff (this could take a few minutes, please be patient) ...
> Uh oh! That Feff calculation did not run successfully.
>
> 2) when I run the command "feff6" from the terminal, I get the
> following message:
>
> stefano% feff6
> Feff 6L.02
> Fatal Error: cannot open file "feff.inp" in module rdinp
>
> I interpret this message with the conclusion that I can just type
> 'feff6' in the Artemis preferences, as the command is actually seen
> and of course it is missing the feff.inp file if I run the command
> from the terminal.
>
> In the end, I have not been able to pinpoint the problem. Maybe a
> fault in the installer??? I am stuck.
>
> Stefano
> --
> ____________________________________________
>
> Stefano Ciurli
> Professor of Chemistry
> Laboratory of Bioinorganic Chemistry
> Department of Agro-Environmental Science and Technology
> University of Bologna
> Viale Giuseppe Fanin, 40
> I-40127 Bologna
> Italy
> Phone: +39-051-209-6204
> Fax: +39-051-209-6203
>
> "Fatti non foste a viver come bruti,
> ma per seguir virtute e canoscenza"
> Dante Alighieri - Inferno - Canto XXVI
>
> "Ihr seid bestimmt, nicht Tieren gleich zu leben,
> Nein, Tugend zu erringen und Erkenntnis"
> "Ye were not form'd to live the life of brutes,
> But virtue to pursue and knowledge high"
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