[Wien] cif2struct creates an empty file

[Jonas Baltrusaitis]

well, it can't find cif2struct script... Might be something wrong with environmental settings, doesn't it?

[jbaltrus at rs-003 mcg732]$ cif2struct mcg732.cif
-bash: cif2struct: command not found
[jbaltrus at rs-003 mcg732]$ 


--- On Fri, 8/28/09, Laurence Marks <L-marks at northwestern.edu> wrote:

> From: Laurence Marks <L-marks at northwestern.edu>
> Subject: Re: [Wien] cif2struct creates an empty file
> To: "A Mailing list for WIEN2k users" <wien at zeus.theochem.tuwien.ac.at>
> Date: Friday, August 28, 2009, 1:55 PM
> Do it by hand at the terminal, e.g.
> "cif2struct mcg732.cif" and see
> what that gives. This does not sound like problem in the
> configuration.
> 
> On Fri, Aug 28, 2009 at 3:46 PM, Jonas Baltrusaitis<jasius_1 at yahoo.com>
> wrote:
> > Hi,
> >
> > I just installed WIEN2k on the AMD64 based cluster,
> went through userconfig_lapw, started web interface, trying
> to create a case.
> >
> > When I upload mcg732.cif file and execute cif2struct,
> it destroys mcg732.cif file and creates and empty
> mcg732.outputcif2struct file. Web interface also claims that
> I have no mcg732.struct file yet.
> >
> > Admitting that something went wrong in configuration I
> can;t quite figure out what and where. What should I look
> for to execute cif2struct properly?
> >
> > thanks
> >
> > Jonas
> >
> >
> >
> > _______________________________________________
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> > Wien at zeus.theochem.tuwien.ac.at
> > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >
> 
> 
> 
> -- 
> Laurence Marks
> Department of Materials Science and Engineering
> MSE Rm 2036 Cook Hall
> 2220 N Campus Drive
> Northwestern University
> Evanston, IL 60208, USA
> Tel: (847) 491-3996 Fax: (847) 491-7820
> email: L-marks at northwestern dot edu
> Web: www.numis.northwestern.edu
> Chair, Commission on Electron Crystallography of IUCR
> www.numis.northwestern.edu/
> Electron crystallography is the branch of science that uses
> electron
> scattering to study the structure of matter.
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