Re: [Ifeffit] Atoms error message
On Wednesday 07 March 2007 08:58, Øystein Prytz wrote:
Hello!
I recently installed Ifeffit on my WinXp machine in order to run the Atoms program locally. However, when I try to run it, I get the following error message:
M:\>atoms can't open \share\perl\Xray\space_groups.db: No such file or directory at /PerlA pp/Xray/Xtal.pm line 116 BEGIN failed--compilation aborted at atoms line 44.
which is weird, since there is a directory
C:\Program Files\Ifeffit\share\perl\Xray\
which contains the space_groups.db file. Do you have any suggestions as to what might be wrong?
Hi Øystein, I am CCing my answer to the Ifeffit mailing list. It's not so weird. The icons and Start menu entries that Ifeffit installs do not point directly at the executables. Rather they point at BAT files that set some environment variables, then run the executables. If you want to run any of the programs from the DOS command line, you need to set those environment variables i some other way. When I build my codes, I start by running a BAT file with these lines: SET IFEFFIT_DIR=C:\Program Files\Ifeffit SET PATH=%PATH%;%IFEFFIT_DIR% SET PGPLOT_DIR=%IFEFFIT_DIR%\bin SET PGPLOT_DEV=/GW Without those set, you will not be able to run the codes successfully from the command line.
PS: it seems the WebAtoms page is malfunctioning, I get a "HTTP 500 Internal server error".
Yup. That was discssed on the Ifeffit mailing list starting here: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2007-January/002858.html and continuing as the first few messages in February: http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2007-February/thread.html See the whole thread for the discussion and work-around. It seems as though the simplest work-around is to delete the stuff in the titles box. Fixing this is on my list of things to do, but it hasn't happened yet. B -- Bruce Ravel ---------------------------------------------- bravel@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/exafs/
Hi Bruce, Øystein,
M:\>atoms can't open \share\perl\Xray\space_groups.db: No such file or directory at /PerlA pp/Xray/Xtal.pm line 116 BEGIN failed--compilation aborted at atoms line 44.
which is weird, since there is a directory
It's not so weird. The icons and Start menu entries that Ifeffit installs do not point directly at the executables. Rather they point at BAT files that set some environment variables, then run the executables.
Actually, the icons don't run batch files, but the environment is set similarly in the runner.exe program. To run the programs from a command line, you can type: C:\> "C:\Program Files\Ifeffit\bin\runner" atoms which works (but apparently not on Vista!). It *ought* to work to do this: C:\> "C:\Program Files\Ifeffit\bin\use_ifeffit.bat" C:\> atoms but currently does not -- giving the error Oystein reported, or something similar indicating that the perl executables are looking for "share\perl\..." under the "current working directory". That's probably fixable.
PS: it seems the WebAtoms page is malfunctioning, I get a "HTTP 500 Internal server error".
Yup. That was discssed on the Ifeffit mailing list starting here:
The discussion from last month was (and is) a different problem, in which some data was causing APS/ANL firewalls to block the traffic. What Oystein noticed is that atoms.cgi was not running on millenia, which was true (probably since last Thursday), and was completely my fault. Sorry for that, but it is working now. --Matt PS: others may have noticed a lack of connectivity to the Ifeffit web pages and mailing lists (and xafs.org) over the past couple days. These were also due to APS firewall "issues", but it seems to be better now.
participants (2)
-
Bruce Ravel -
Matt Newville