RE: [Ifeffit] Artimis

Hi Bruce, Thanks for your advices. I did edit my Feff.inp in Word, but did not have any problems with the old version. I tried the cleaned up Feff.inp you sent me, it worked better in the sense that I could close Artemis after the warning appeared again, with my own version, I would have to use ForceQuit. I am a new mac user. I try to understand the message in the artemis.trap, although it's a text file, I do not understand too much. I sort of remember there is a notice about Perl version on some website. I have seen 'Perl' appearing in the trap file in many places, is this relative to the problem? Thanks for your help. Yongsheng

---------- From: ifeffit-bounces@millenia.cars.aps.anl.gov on behalf of Bruce Ravel Reply To: ravel@phys.washington.edu;XAFS Analysis using Ifeffit Sent: Friday, October 22, 2004 10:49 AM To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Artimis

<><> On Friday 22 October 2004 12:30 pm, Chen, Yongsheng wrote:

...

I installed the lastest version of Artemis, but met problems when trying to import FEFF calculations. The trap file and the feff input file are attached. The old version worked fine. I have a mac.

Yongsheng,

What is the history of the files you sent? The feff.inp file you included in your email has a large number of non-printable chatracters at the beginning of the file and all of the lines are terminated by Macintosh end-of-line characters (that is, carriage return (ascii 13), rather than line-feed (ascii 10)). Artemis currently makes no effort to deal correctly with Mac EOL characters and Feff (as compiled on an OSX, which is really a version of Unix under the hood) will not do so either. Some quick tests suggested that is the case.

So, there seems to be two problems with the feff.inp file you sent me

1. The junk characters at the beginning of the file. Those will certainly confuse feff.

2. The end-ol-line characters.

You can probably fix both by opening up the feff.inp file in any text editor, stripping out the junk at the top of the file and explicitly saving the file as a unix text file. I am sure that some of the Mac users on the list can provide more details should you need it.

I am suspicious that you might have edited the feff.inp file with a word processor (such as MS Word). That is a very poor idea because it can be hgard to avoid the situation where the word processor inserts additional, not-for-display information in the file that neither Artemis nor Feff will know how to deal with. If you create your feff.inp files outside of Artemis, you must be careful not to do so in a way that inserts additional stuff into the file.

When I cleaned up the feff.inp file you sent, Artemis had no problem with it.

I suppose that another possibility is that the file became "contaminated" after you tried it in Artemis but before I received your email. If that is the case, it is really important that you fix that and try submitting your question again. It is possible that you are seeing some deeper problem in Artemis, but that I am focussing on the ways in which the file became contaminated. That's a problem because I am therefore not addressing the real issue.

Attached is the cleaned up file, which works for me.

Regards, B

-- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 405 Naval Research Laboratory phone: (1) 202 767 2268 Washington DC 20375, USA fax: (1) 202 767 4642

NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973

My homepage: http://feff.phys.washington.edu/~ravel> EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/