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

Ifeffit and gfortran (was: iffefit compile on BlueWhite64)
by Matt Newville 27 Aug '07

27 Aug '07

Hi Chachi, all I believe I have a source kit that will build correctly for you using gfortran. I've tested on three different generations of Fedora/Redhat linux systems, one with only g77, one with only gfortran, and one with both, and the installation now works on all of them. Please try http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10_rc1.tar.gz With this tar ball, you will need to install pgplot: tar xvzf ifeffit-1.2.10_rc1.tar.gz cd ifeffit-1.2.10 sh PGPLOT_install ./configure make make install (doing the two 'install steps' with sufficient privilege). Again, you need to install PGPLOT with the provided script. Both the PGPLOT and Ifeffit installations will use gfortran if available, and g77 if gfortran is not available. I think it would not be too difficult to attempt to use Intel's ifort compiler or g95, though I do not know that it's needed-- all linux distribution come with gcc so have easy-to-use packages for gfortran (and, for "legacy", g77). I did get horae-065 and the python wrappers to build with no trouble (once the Tk modules were installed) on all systems, though I haven't done much more than trivial testing. Since I tested only on a few linux boxes, I'd be interested in hearing reports for other systems. I'll wait a few days (or more) to hear reports before uploading this as ifeffit-1.2.10. --Matt

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[Fwd: Ifeffit Ok on BlueWhite64, ...]
by Chachi Rojas 25 Aug '07

25 Aug '07

Hello list again Tk module run ok. Now, my problem is compling horae-065, error message: ... make[1]: Entering directory `/usr/local/src/ifeffit-1.2.10/horae-065/Absorption' /usr/bin/perl5.8.8 chantler2st.PL chantler.db Can't locate Chemistry/Elements.pm in @INC (@INC contains: /usr/lib/perl5/5.8.8/x86_64-linux-thread-multi /usr/lib/perl5/5.8.8 /usr/lib/perl5/site_perl/5.8.8/x86_64-linux-thread-multi /usr/lib/perl5/site_perl/5.8.8 /usr/lib/perl5/site_perl .) at chantler2st.PL line 40. BEGIN failed--compilation aborted at chantler2st.PL line 40. make[1]: *** [chantler.db] Error 2 make[1]: Leaving directory `/usr/local/src/ifeffit-1.2.10/horae-065/Absorption' make: *** [subdirs] Error 2 ch@pcbox:/usr/local/src/ifeffit-1.2.10/horae-065$ ...... it seems not to find Chemistry/Elements.pm file (module) Ch --------------------------------- Original Message --------------------------------- Subject: Ifeffit Ok on BlueWhite64, ... From: "Chachi Rojas" <crojasa(a)unmsm.edu.pe> Date: Fri, August 24, 2007 5:12 pm To: ifeffit(a)millenia.cars.aps.anl.gov ------------------------------------------------------------------------------------ Hi Matt Ifeffit run perfectely (thanks Matt) after installed by your scripts on RC1. Now, a question for Bruce try to install horae-065, but, error message is below: ---------- === The Ifeffit wrapper, Athena, Artemis, and Hephaestus === This is linux. Checking dependencies ... Tk is not installed. Download the latest from http://search.cpan.org/search?module=Tk Failed dependencies. Not installing athena and artemis. ------ Tk modules (version 8.4.15) were installed on /usr, but perl Makefile.PL it does not recognize Some idea Ch. > Date: Wed, 22 Aug 2007 15:56:26 -0500 > From: "Matt Newville" <newville(a)cars.uchicago.edu> > Subject: [Ifeffit] Ifeffit and gfortran (was: iffefit compile on > BlueWhite64) > To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <b8522e3d0708221356y37280877v86ac576fe9b6b96c(a)mail.gmail.com> > Content-Type: text/plain; charset=ISO-8859-1 > > Hi Chachi, all > > I believe I have a source kit that will build correctly for you using > gfortran. I've tested on three different generations of Fedora/Redhat > linux systems, one with only g77, one with only gfortran, and one with > both, and the installation now works on all of them. > > Please try > http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10_rc1.tar.gz > > With this tar ball, you will need to install pgplot: > tar xvzf ifeffit-1.2.10_rc1.tar.gz > cd ifeffit-1.2.10 > sh PGPLOT_install > ./configure > make > make install > > (doing the two 'install steps' with sufficient privilege). Again, you > need to install PGPLOT with the provided script. Both the PGPLOT and > Ifeffit installations will use gfortran if available, and g77 if > gfortran is not available. I think it would not be too difficult to > attempt to use Intel's ifort compiler or g95, though I do not know > that it's needed-- all linux distribution come with gcc so have > easy-to-use packages for gfortran (and, for "legacy", g77). > > I did get horae-065 and the python wrappers to build with no trouble > (once the Tk modules were installed) on all systems, though I haven't > done much more than trivial testing. > > Since I tested only on a few linux boxes, I'd be interested in hearing > reports for other systems. > > I'll wait a few days (or more) to hear reports before uploading this > as ifeffit-1.2.10. > > --Matt > -- Chachi Rojas Ayala GMC FCF UNMSM Claro:01-97489347 email:crojasa@unmsm.edu.pe chachi.rojas(a)gmail.com

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Re: [Ifeffit] Ifeffit Digest, Vol 54, Issue 15
by joshua jason kas 23 Aug '07

23 Aug '07

Hi Eckhard, Add the following card to your feff.inp file. FOLP 2 0.8 Our default overlap is not so good for hydrogen, and 0.8 is the recommended value given in the documentation. There is some instability in the calculation of the densities near the nucleus, which in hydrogen, turns out to be comparable to the total density, and gives negative densities. I don't know why folp 0.8 helps, but it does. Cheers, Josh > > Message: 1 > Date: Wed, 22 Aug 2007 14:21:14 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: Re: [Ifeffit] log1.dat & program break > To: "Bruce Ravel" <bravel(a)anl.gov>, "XAFS Analysis using Ifeffit" > <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <54988.134.76.41.165.1187785274.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hi Bruce, > > maybe my mail was a little bit confusing. The log1.dat from the attachment > belongs to the first problem ("negative dens "). I found this message in > the log1.dat file. > > sincerely yours, > Eckhard > >> I don't know what the lines from the log file mean. As to the program >> crashing -- Josh addressed this in his email yesterday. >> > > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany >

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iffefit compile on BlueWhite64
by Chachi Rojas 22 Aug '07

22 Aug '07

Hello list I try to install ifeffit 1.2.9 on Linux Bluewhite64 12.0 (slackware 12.0 based) PGPLOt run perfectely, ./configure ifeffit ok but when compile, error message: ... /usr/local/src/ifeffit-1.2.9/src/lib/iff_cursor.f:68: undefined reference to `_gfortran_concat_string' /usr/X11R6/lib/libgfortranbegin.a(fmain.o): In function `main': (.text+0x5): undefined reference to `_gfortran_set_args' /usr/local/pgplot//libpgplot.so: undefined reference to `_gfortran_pow_i4_i4' /usr/local/pgplot//libpgplot.so: undefined reference to `_gfortran_transfer_array' /usr/local/pgplot//libpgplot.so: undefined reference to `_gfortran_pow_r4_i4' collect2: ld returned 1 exit status make[3]: *** [ifftest1] Error 1 make[3]: Leaving directory `/usr/local/src/ifeffit-1.2.9/src/test' make[2]: *** [all-recursive] Error 1 make[2]: Leaving directory `/usr/local/src/ifeffit-1.2.9/src' make[1]: *** [all-recursive] Error 1 make[1]: Leaving directory `/usr/local/src/ifeffit-1.2.9' make: *** [all-recursive-am] Error 2 My computer: Linux chy 2.6.21.5 #1 SMP Fri Jun 15 08:49:16 EEST 2007 x86_64 Intel(R) Core(TM)2 CPU 6400 @ 2.13GHz GenuineIntel GNU/Linux Same idea about this error message, Thanks Ch -- Chachi Rojas Ayala GMC FCF UNMSM Claro:01-97489347 email:crojasa@unmsm.edu.pe chachi.rojas(a)gmail.com

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log1.dat & program break
by s440697＠stud.uni-goettingen.de 22 Aug '07

22 Aug '07

Hello, i have 2 questions. I read in the log1.dat file (from a xanes-calculation, see also attachment) negative dens 10 2 negative dens 20 2 negative dens 30 2 negative dens 40 2 What does this mean? negative dens=negative density ?? Is this a message i have to be worried about? The second problem is a program break. I modified the entry nclusx=175 to nclusx=500 in the feff84.f to make a xanes-calculation with a 328-Atoms cluster (or maybe later more). The compilation (f77 -o feff84_500 feff84_500.f) finished without messages and i started the calculation with feff84_500 but then the prompt answered with: $ feff84_500 Killed $ I did the same procedure with nclusx=400 and compiled it. With feff84_400 the calculation works... Does anyone know if there is a problem with nclusx=500? Thanks for your help and time. sincerely yours, Eckhard Bosman --------------------------------- Eckhard Bosman e.bosman(a)stud.uni-goettingen.de +49 (0)551-39-14441 Raum: E0.104 Institut für Röntgenphysik Friedrich-Hund-Platz 1 37077 Göttingen Germany

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Re: [Ifeffit] nclusx=500
by joshua jason kas 22 Aug '07

22 Aug '07

Hi Eckhard, For now I will only answer your question about nclusx since I have to investigate the neg dens situation. You are running out of memory when you set nclusx=500. There are two possibilities here. 1. You don't have enough RAM. I think the problem is that feff84.f on the web has some funny defaults that need to be changed. nex is another parameter which gives the number of energy points. I am guessing that it is set to 450 in your version. Set it to 150. This was the default for feff82, and should be the default for feff84. I will change the one on the web as well. 2. Your stacksize is not set to unlimited. To figure out what the stacksize is set to, type ulimit -s If it doesn't return unlimited, type ulimit -s unlimited The above commands are for bash. I think tcsh might use a different command (limit maybe?). For the negative density stuff, could you send your feff.inp file? Cheers, Josh Kas > > Hello, > > i have 2 questions. > > I read in the log1.dat file (from a xanes-calculation, see also attachment) > negative dens 10 2 > negative dens 20 2 > negative dens 30 2 > negative dens 40 2 > What does this mean? negative dens=negative density ?? Is this a message i > have to be worried about? > > The second problem is a program break. I modified the entry nclusx=175 to > nclusx=500 in the feff84.f to make a xanes-calculation with a 328-Atoms > cluster (or maybe later more). The compilation (f77 -o feff84_500 > feff84_500.f) finished without messages and i started the calculation with > feff84_500 but then the prompt answered with: > $ feff84_500 > Killed > $ > > I did the same procedure with nclusx=400 and compiled it. With feff84_400 > the calculation works... Does anyone know if there is a problem with > nclusx=500? > > Thanks for your help and time. > > sincerely yours, > Eckhard Bosman > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany >

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Feff for > 175 atoms
by joshua jason kas 20 Aug '07

20 Aug '07

Hi Eckhard, You did the right thing. nclusx is the parameter you want to change and you want to change it everywhere that it appears in the whole file. Bruce's suggestion to check the results is also good. Also, just so that you know, the code will eventually crash (or possibly not compile) if nclusx is set too large. There are some workarounds, but I'll leave that for another day. Cheers, Josh Kas On Mon, 20 Aug 2007, ifeffit-request(a)millenia.cars.aps.anl.gov wrote: > Send Ifeffit mailing list submissions to > ifeffit(a)millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > or, via email, send a message with subject or body 'help' to > ifeffit-request(a)millenia.cars.aps.anl.gov > > You can reach the person managing the list at > ifeffit-owner(a)millenia.cars.aps.anl.gov > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > > 1. Feff for > 175 atoms (s440697(a)stud.uni-goettingen.de) > 2. Re: Feff for > 175 atoms (Bruce Ravel) > 3. Re: Feff for > 175 atoms (s440697(a)stud.uni-goettingen.de) > 4. Feff for > 175 atoms (appendix) (s440697(a)stud.uni-goettingen.de) > 5. Re: Feff for > 175 atoms (appendix) (Bruce Ravel) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 20 Aug 2007 10:59:25 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: [Ifeffit] Feff for > 175 atoms > To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> > Cc: Bruce Ravel <bravel(a)anl.gov> > Message-ID: > <41184.134.76.41.165.1187600365.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello, > i tried to run feff with a atomcluster of 249 atoms (under linux) and got > this message: > > You specified a cluster of 249 atoms for the FMS calculation. > This exceeds the hard wired limit of 175 atoms. > The cluster size was reset to 175 and the calculation will continue. > > Then i made a feff-run with feff84_300.exe (under windows) with the same > 249-atomcluster. This worked fine. But is there a linux-version for 300 > atoms? Or is there a way to make a feff-run under linux with such big > cluster? > > I would be very thankful for an answer :-) > > sincerely yours, > Eckhard Bosman > > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 2 > Date: Mon, 20 Aug 2007 08:15:14 -0500 > From: Bruce Ravel <bravel(a)anl.gov> > Subject: Re: [Ifeffit] Feff for > 175 atoms > To: s440697(a)stud.uni-goettingen.de, XAFS Analysis using Ifeffit > <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <200708200815.14582.bravel(a)anl.gov> > Content-Type: text/plain; charset="iso-8859-1" > > On Monday 20 August 2007, s440697(a)stud.uni-goettingen.de wrote: >> Hello, >> i tried to run feff with a atomcluster of 249 atoms (under linux) and got >> this message: >> >> You specified a cluster of 249 atoms for the FMS calculation. >> This exceeds the hard wired limit of 175 atoms. >> The cluster size was reset to 175 and the calculation will continue. >> >> Then i made a feff-run with feff84_300.exe (under windows) with the same >> 249-atomcluster. This worked fine. But is there a linux-version for 300 >> atoms? Or is there a way to make a feff-run under linux with such big >> cluster? >> >> I would be very thankful for an answer :-) > > Eckhard, > > This is not a version problem, per se. The issue is how the various > constants are set when Feff is compiled. When you unpack the source > code for feff, you will see a whole slew of directories. One of them > is called "HEADERS/". In that directory is a file called "dim.h". > Near the top of that file, you will find a constant called "nclusx". > In the source tarball, this parameter is set to 175, but you can > change it and recompile. > > Once you change that value to 300 (or whatever) and recompile Feff, > you should be able to run your problem on your linux machine. I > suspect (but do not know for sure) that the only difference between > the windows feff84_300.exe and the normal feff84.exe is the size of > the nclusx parameter. > > HTH, > B > > > > > -- > Bruce Ravel ---------------------------------------------- bravel(a)anl.gov > > Molecular Environmental Science Group, Building 203, Room E-165 > MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 > > Argonne National Laboratory phone and voice mail: (1) 630 252 5033 > Argonne IL 60439, USA fax: (1) 630 252 9793 > > My homepage: http://cars9.uchicago.edu/~ravel > EXAFS software: http://cars9.uchicago.edu/~ravel/software/ > > > > ------------------------------ > > Message: 3 > Date: Mon, 20 Aug 2007 16:02:58 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: Re: [Ifeffit] Feff for > 175 atoms > To: "Bruce Ravel" <bravel(a)anl.gov> > Cc: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <43756.134.76.41.165.1187618578.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello Bruce, > > thanks for your fast answer. Excuse me, for the stupid question. But i > can't find the packed (linux)source-code for feff with slew of > directories. I only found one single file, the feff84.f or the > feff84.tar.gz or the feff84.zip (which contains only the feff84.f file) on > the feff-distribution webpage. > (http://leonardo.phys.washington.edu/feff/Secure-area/Bin-Source-feff8/Sourc…) > > Thanks for your help. > Eckhard > >> Eckhard, >> >> This is not a version problem, per se. The issue is how the various >> constants are set when Feff is compiled. When you unpack the source >> code for feff, you will see a whole slew of directories. One of them >> is called "HEADERS/". In that directory is a file called "dim.h". >> Near the top of that file, you will find a constant called "nclusx". >> In the source tarball, this parameter is set to 175, but you can >> change it and recompile. >> >> Once you change that value to 300 (or whatever) and recompile Feff, >> you should be able to run your problem on your linux machine. I >> suspect (but do not know for sure) that the only difference between >> the windows feff84_300.exe and the normal feff84.exe is the size of >> the nclusx parameter. >> >> HTH, >> B > > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 4 > Date: Mon, 20 Aug 2007 16:35:21 +0200 (CEST) > From: s440697(a)stud.uni-goettingen.de > Subject: [Ifeffit] Feff for > 175 atoms (appendix) > To: "Bruce Ravel" <bravel(a)anl.gov>, "XAFS Analysis using Ifeffit" > <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: > <53871.134.76.41.165.1187620521.squirrel(a)webmail.stud.uni-goettingen.de> > > Content-Type: text/plain;charset=iso-8859-1 > > Hello Bruce, > > i opened the one big feff84.f file and searched for "nclusx=175" and > changed this to "nclusx=300" in the whole file. Then i compiled it with > f77 -o and so on. I started my feff-run and it seems to be good. Is this > proceeding wise? I don't know much about such things :-/ > > Thanks for your help and time. > Eckhard > >> Eckhard, >> >> This is not a version problem, per se. The issue is how the various >> constants are set when Feff is compiled. When you unpack the source >> code for feff, you will see a whole slew of directories. One of them >> is called "HEADERS/". In that directory is a file called "dim.h". >> Near the top of that file, you will find a constant called "nclusx". >> In the source tarball, this parameter is set to 175, but you can >> change it and recompile. >> >> Once you change that value to 300 (or whatever) and recompile Feff, >> you should be able to run your problem on your linux machine. I >> suspect (but do not know for sure) that the only difference between >> the windows feff84_300.exe and the normal feff84.exe is the size of >> the nclusx parameter. >> >> HTH, >> B > > --------------------------------- > Eckhard Bosman > e.bosman(a)stud.uni-goettingen.de > +49 (0)551-39-14441 > Raum: E0.104 > Institut f?r R?ntgenphysik > Friedrich-Hund-Platz 1 > 37077 G?ttingen > Germany > > > > ------------------------------ > > Message: 5 > Date: Mon, 20 Aug 2007 09:37:51 -0500 > From: Bruce Ravel <bravel(a)anl.gov> > Subject: Re: [Ifeffit] Feff for > 175 atoms (appendix) > To: s440697(a)stud.uni-goettingen.de > Cc: XAFS Analysis using Ifeffit <ifeffit(a)millenia.cars.aps.anl.gov> > Message-ID: <200708200937.51359.bravel(a)anl.gov> > Content-Type: text/plain; charset="iso-8859-1" > > On Monday 20 August 2007, s440697(a)stud.uni-goettingen.de wrote: >> i opened the one big feff84.f file and searched for "nclusx=175" and >> changed this to "nclusx=300" in the whole file. Then i compiled it with >> f77 -o and so on. I started my feff-run and it seems to be good. Is this >> proceeding wise? I don't know much about such things :-/ > > > That seems right to me. As a test, you could compare the result on > linux with nclusx=300 to what you ran on windows. If they are the > same then the two are equally right (or equally wrong!). > > B > > > -- > Bruce Ravel ---------------------------------------------- bravel(a)anl.gov > > Molecular Environmental Science Group, Building 203, Room E-165 > MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 > > Argonne National Laboratory phone and voice mail: (1) 630 252 5033 > Argonne IL 60439, USA fax: (1) 630 252 9793 > > My homepage: http://cars9.uchicago.edu/~ravel > EXAFS software: http://cars9.uchicago.edu/~ravel/software/ > > > > ------------------------------ > > _______________________________________________ > Ifeffit mailing list > Ifeffit(a)millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit > > > End of Ifeffit Digest, Vol 54, Issue 12 > *************************************** >

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Re: [Ifeffit] Update on the NSLS XAFS course
by Bruce Ravel 20 Aug '07

20 Aug '07

Hi folks, Anatoly asked me to mention that there is an XAS short course at the NSLS coming up soon: Application of XAFS to Nanocatalysis Science Location: Brookhaven National Laboratory Dates: October 25-27, 2007 Website: http://www.nsls.bnl.gov/newsroom/events/workshops/2007/exafs/ Please pass this information along to your associates and graduate students who may benefit from learning about advanced applications of XAFS technique to catalysis research. B -- Bruce Ravel ---------------------------------------------- bravel(a)anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/

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答复: Ifeffit Digest, Vol 54, Issue 10
by Wang Ke-Fan 18 Aug '07

18 Aug '07

Hi everyone, Joji and Bruce The method advised by Joji is very effective. I transferred the data group to "C:\Program Files\Ifeffit\examples\Athena", and renamed the data group of "xafs", and then everything is OK. Thank you very much,Joji! Wang -----邮件原件----- 发件人: ifeffit-bounces(a)millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] 代表 ifeffit-request(a)millenia.cars.aps.anl.gov 发送时间: 2007年8月18日 1:00 收件人: ifeffit(a)millenia.cars.aps.anl.gov 主题: Ifeffit Digest, Vol 54, Issue 10 Send Ifeffit mailing list submissions to ifeffit(a)millenia.cars.aps.anl.gov To subscribe or unsubscribe via the World Wide Web, visit http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit or, via email, send a message with subject or body 'help' to ifeffit-request(a)millenia.cars.aps.anl.gov You can reach the person managing the list at ifeffit-owner(a)millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than "Re: Contents of Ifeffit digest..." Today's Topics: 1. Re: The IFEFFIT 1.2.10 at Win XP SP2 (Joji Kuniya) 2. Re: The IFEFFIT 1.2.10 at Win XP SP2 (Bruce Ravel) ---------------------------------------------------------------------- Message: 1 Date: Fri, 17 Aug 2007 22:37:40 +0900 From: "Joji Kuniya" <thinkpadt60(a)silk.ocn.ne.jp> Subject: Re: [Ifeffit] The IFEFFIT 1.2.10 at Win XP SP2 To: "XAFS Analysis using Ifeffit" <ifeffit(a)millenia.cars.aps.anl.gov> Message-ID: <002101c7e0d3$c8b11c00$030ba8c0@kuniya2> Content-Type: text/plain; charset="iso-8859-1" Hi Wang My name is Joji Kuniya. I encountered just as your file reading problem. I moved the file from desktop(??????) to another disk which is exist Ifeffit program, and changed the file name from Japanese (I have been using a Japanese model PC) to English. So that, Athena program successfully reads the files. I think that Athena program could not read the Chinese word in your file pass. I recommend to you that to change your analyzing file name from Chinese to English. Best regards Joji Kuniya ----- Original Message ----- From: Wang Ke-Fan To: ifeffit(a)millenia.cars.aps.anl.gov Sent: Friday, August 17, 2007 8:46 PM Subject: [Ifeffit] The IFEFFIT 1.2.10 at Win XP SP2 Hi everyone and Matt To make the problem happened to me clearer, please import the data 1-4.Dat attached and see the result. The result on my Windows XP SP2 is also attached in name of 1-4.jpg. The case may be different from others. The IFEFFIT is downloaded from "http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe". Wang ---------------------------------------------------------------------------- -- _______________________________________________ Ifeffit mailing list Ifeffit(a)millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

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The IFEFFIT 1.2.10 at Win XP SP2
by Wang Ke-Fan 17 Aug '07

17 Aug '07

Hi everyone and Matt To make the problem happened to me clearer, please import the data 1-4.Dat attached and see the result. The result on my Windows XP SP2 is also attached in name of 1-4.jpg. The case may be different from others. The IFEFFIT is downloaded from " <http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe> http://cars9.uchicago.edu/~ifeffit/src/ifeffit-1.2.10.exe". Wang

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