February 2003 - Ifeffit - millenia.cars.aps.anl.gov

Win 98 installation
by krk511＠casbah.it.northwestern.edu 10 Feb '03

10 Feb '03

Bruce and Group, Currently it appears that I can get the various software running (SixPack, GIFEFFIT, etc.) just not from the desktop icons. I have done/tried the following: I made the changes suggested to the config.sys file -- this changed the error message (when hitting the desktop icon) from "Out of environment space" to "too many parameters" the later message I still see when I currently hit the desktop icons. After the previous step I checked the xxxx.bat files in c:\Program files\Ifeffit

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Re: Ifeffit digest, Vol 1 #106 - 2 msgs
by Zhan Zhang 09 Feb '03

09 Feb '03

Bruce, My Win98 computer had a hard disk failure last year and I upgraded it to Win2K. However, I have another 98 running at home. But I don't have the lastest Ifeffit there. So I just tried this with 1.0074. I will try a latest version later. I don't recall anything about the 'out of memory' problem when installing on my office 98. But this time I do. After changing config.sys. It was gone. And from my experience here, the answer to the first question below is YES. I click the icon on desktop, a DOS shell window (minimized) showed up and the 'too many parameters' information given. Then, well, nothing happened then. I tired put quote on 'C:\Program Files\Ifeffit' in the .bat file. It did not help. And I tried put double quotes on "C:\Program Files\Ifeffit". It helps sovle the 'too many parameter' problem. But it seems introduced another problem. An error message 'bad side "": must be top, bottom, left, or right at Tk/Widget.pm line 1053' showed and quit. The last thing I did was changing it to C:\Progra~1\Ifeffit. And it worked. Putting single or double (' or ") around it would not work again. And the answer to the second question is YES, if the icons here mean the '.exe' file. NO for '.bat' file. It was also a NO if I tried to run them from 'Start-->Programs-->Ifeffit-->Athena(or anyother)'. I believe this means the icons on the desktop point to the correct files (.bat file). And the only problem is the bat file could not set up the path. This won't be a problem if the path is sort of a normal DOS path, say shorter than 8 characters and contains no space. Zhan > Zhan: I have the exact opposite question. Was changing the path to > have the tilde rather than the space required to get the desktop icons > to work? And do the programs run without editing if you click on the > icons in the C:\Program Files\Ifeffit folder? > > Perhaps someone who is python-savvy and has access to a Win98 machine > can help out by doing some tests and figuring out what the > make_bats.py needs to be in order to work correctly on Win9x *as well > as* the later Windows systems. There are some hints in the README.TXT > file in the build_setup folder for how make_bats and the installer > builder all work. > -- Zhan Zhang Northwestern University Argonne National Laboratory Materials Science & Engineering Department Environmental Research Division MLSB 2017 Building 203, C-137 2225 N. Campus Dr 9700 Cass Ave Evanston, IL 60208 Argonne, IL 60439 Tel: (630) 252-8629 Fax: (630) 252-5498 zhanzhang(a)northwestern.edu

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S02
by Dr. Paul Fons 09 Feb '03

09 Feb '03

I was curious to tap the collective wisdom of those on the list regarding the "true meaning" of S02, the passive electron reduction factor, at least with regards to fitting experimental data to feff calculated paths. I understand that S02 is an aggregate "energy losses related to core hole creation parameter", but am curious about experimental data fitting. In particular, I have have started probing both high and low energy ranges for exafs and find that my usual experience from the 10-15 keV range don't seem to apply. In particular, I have been measuring energies around the O edge (540 eV) as well as some rather high energies edges Te (31 keV), Cd (26.7 keV) etc.. I have heard (indirectly via my coworker) from Andrei Rogalev that he considers S02 to be just another parameter. As the correlation between S02 and N is unity, this leads to a fair amount of ambiguity in the determination of coordination to say the least. While we are on the subject, are there any general observations about the transferablility of S02 from standards. How about the expected temperature dependence of S02? I do recall reading from John Rehr's article in RMP that S02 (which feff does calculate by the way) is an path dependent, complex sum that must be phasor summed. What are some realistic approximations/trends regarding to S02 and temperature, energy, and/or structure dependence? Dr. Paul Fons Senior Researcher National Institute for Advanced Industrial Science & Technology METI Optoelectronics Division Umezono 1-1-4 Tsukuba, Ibaraki JAPAN 305-8568

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(no subject)
by Bruce Ravel 07 Feb '03

07 Feb '03

Hi Matt, I'm a little confused by the "resolution" of this Win98 issue. It seems as though the two Northwesterners had slightly different experiences. Kristine said: K> I made the change to the config.sys file (which changed the K> message from 'Out of environment space' to 'Too many parameters'). K> I then went to look at the xxxx.bat files and saw that they K> weren't there. After hitting the make bats application to K> generate them and then clicking on the executable (from the K> C:/Program Files/Ifeffit/ folder) things seem to be OK. So it seems as though re-running the make_bats thing was sufficient, although the "too many parameters" thing seems to indicate that there is still a problem with the space in the folder name. It seems that Zhan, on the other hand, needed to fix the space in the folder name to get things to work. ZZ> What I did was just give the path and file name exactly as shown ZZ> in the DOS shell. Something like: ZZ> SET IFEFFIT_DIR=C:\Progra~1\Ifeffit ZZ> After changing all the .bat files, they worked ok for me. Why would one Win98 user need to do that but another not need to? That doesn't seem outside the realm of possibility with the wonderful Win98, but it does seem odd. So I guess I have a couple of questions. Kristine: Do the desktop icons work? Or can you only run the programs if you click on the .bat icons in the C:\Program Files\Ifeffit folder? Zhan: I have the exact opposite question. Was changing the path to have the tilde rather than the space required to get the desktop icons to work? And do the programs run without editing if you click on the icons in the C:\Program Files\Ifeffit folder? Perhaps someone who is python-savvy and has access to a Win98 machine can help out by doing some tests and figuring out what the make_bats.py needs to be in order to work correctly on Win9x *as well as* the later Windows systems. There are some hints in the README.TXT file in the build_setup folder for how make_bats and the installer builder all work. Regards, B P.S. It would be nice if everyone, and particularly digest users, when quoting a previous post, would edit the quote to show just the bit that is relevant to the conversation. It is much easier to understand the flow of the conversation without dozens or hundreds of lines of extraneous stuff. -- Bruce Ravel ----------------------------------- ravel(a)phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b, X24c, U4b 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/

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Re: [Ifeffit] Re: Questions about IFEFFIT and Windows 98
by krk511＠casbah.it.northwestern.edu 07 Feb '03

07 Feb '03

Bruce and Matt, Thank you for your help. Things appear to be working now. I made the change to the config.sys file (which changed the message from 'Out of environment space' to 'Too many parameters'). I then went to look at the xxxx.bat files and saw that they weren't there. After hitting the make bats application to generate them and then clicking on the executable (from the C:/Program Files/Ifeffit/ folder) things seem to be OK. (I didn't need to make changes to the bat files I guess)... though I'm still perplexed that I still get the "Too many parameters" message if I click on the icon on the desktop, while if I actually click on the executable in the folder I have no problem. I'm very glad that it appears to be working now. Thanks, Kristine Bruce Ravel <ravel(a)phys.washington.edu> writes on Fri, 7 Feb 2003 09:53:25 -0500: > > > > On Thu, 6 Feb 2003, Matt Newville <newville(a)cars.uchicago.edu> said: > > MN> I thought the 'Too many parameters - Files\Ifeffit Bad command or > MN> file name' message was somehow related to that, but maybe not. > MN> If not, it may be due to a mistake in the files C:\Program > MN> Files\Ifeffit\xxxx.bat (xxx = athena, artemis, ifeffit, > MN> sixpack,....) which all have this line: > MN> @echo off SET IFEFFIT_DIR=C:\Program Files\Ifeffit > > MN> Could the space in the file name be a problem for Windows98 but > MN> not Win2000??? If so, maybe adding quotes will do it: > MN> SET IFEFFIT_DIR='C:\Program Files\Ifeffit' > > I just wanted to say that if the solution to your problem is, indeed, > adding quotes to the .bat files, please let us know so we can do so in > the next version of the installer package. Of course, if the solution > is something else entirely, let us know that also ;-) > > B > > -- > Bruce Ravel ----------------------------------- ravel(a)phys.washington.edu > Code 6134, Building 3, Room 222 > Naval Research Laboratory phone: (1) 202 767 5947 > Washington DC 20375, USA fax: (1) 202 767 1697 > > NRL Synchrotron Radiation Consortium (NRL-SRC) > Beamlines X11a, X11b, X23b, X24c, U4b > 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/ >

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Re: Questions about IFEFFIT and Windows 98
by Matt Newville 07 Feb '03

07 Feb '03

Hi Kristine, On Thu, 6 Feb 2003 krk511(a)casbah.it.northwestern.edu wrote: > Matt, > > I'm trying to get IFEFFIT to work on a Windows 98 machine and I'm trying to > figure out what my options are. (Currently the three machines I use at > Northwestern, home, and Argonne are all Win 98.) > > I've installed IFEFFIT, and did some original changes to correct the "Out of > environment space" problem, now I have a: "Too many parameters Too many > parameters - Files\Ifeffit Bad command or file name " problem. > > I'm looking for suggestions. Just to be sure, I believe the 'Out of environent space problem' on Windows98 can be solved by putting SHELL=C:\COMMAND.COM /E:4096 /P in the config.sys file. Is that right? I thought the 'Too many parameters - Files\Ifeffit Bad command or file name' message was somehow related to that, but maybe not. If not, it may be due to a mistake in the files C:\Program Files\Ifeffit\xxxx.bat (xxx = athena, artemis, ifeffit, sixpack,....) which all have this line: @echo off SET IFEFFIT_DIR=C:\Program Files\Ifeffit Could the space in the file name be a problem for Windows98 but not Win2000??? If so, maybe adding quotes will do it: SET IFEFFIT_DIR='C:\Program Files\Ifeffit' To be honest, I'm not sure, but it's probably something simple like that. Anyone else know how to do this or have ifeffit/athena working on Windows 98? Thanks, --Matt

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A question ...
by Bruce Ravel 06 Feb '03

06 Feb '03

Hi folks, Matt and I are wondering what everyone's opinion is of the Windows installer package. We are concerned that it's huge size is an impediment to you, the users. The installer file is currently over 23 Mb and the full installation is using up over 56 Mb of your disk-space. A significant amount of that is for things like documentation and example files that could be (and in many cases are) found on the web. We are worried about people who are not in North America (as are Matt and I) or about people who do not have high bandwidth internet connections. So, we want to solicit some opinions from the windows users about the installer package. Should we: 1. Release the full, huge installer once per year or less and release smaller patches to the base installation as needed? 2. Release the huge installer, but allow more control over which components get installed? 3. Continue doing what we have been doing? 4. Try to find volunteers to set up mirrors on other continents? Feel free to offer any suggestions you might have about these distribution issues to this list or to Matt or I privately. Thanks, B -- Bruce Ravel ----------------------------------- ravel(a)phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b, X24c, U4b 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/

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new version of Athena and new Windows installer package
by Bruce Ravel 06 Feb '03

06 Feb '03

Hi Folks, There is a new version of Athena (0.8.013) ready for use. Along with several small bug fixes are significant improvements to Athena's (but, sadly, not Artemis's) documentation. Because the new documentation involves lots of external files, there is a new version of the big Windows installer on Matt's web site. Unix and OSX people should grab the latest source code tarball from my web site. Windows people should grab the latest installer package from Matt's web site. Along with some work on the on-line document, I have written a selection of demos for Athena. The demos are project files with data that demonstrates some feature of Athena and Ifeffit and uses the journal space to provide an explanation and suggestions for things to try to better understand the demonstrated feature. You can browse the demo projects by selecting the appropriate item from the Help menu. When you read in a project that way, the journal will automatically open up so you can start reading about the feature being demonstrated. For many of you on this list, the demos probably explain things with which you are already familiar. But check them out -- you may learn about a feature you didn't know about. And, as you introduce new users to Athena, point them in the direction of the demo projects. Regards, B -- Bruce Ravel ----------------------------------- ravel(a)phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b, X24c, U4b 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/

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