[Wien] cif2struct creates an empty file

[Laurence Marks]

Did you do userconfig to setup your PATH variable etc?

On Fri, Aug 28, 2009 at 4:56 PM, Jonas Baltrusaitis<jasius_1 at yahoo.com> wrote:
> 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.
>> _______________________________________________
>> Wien mailing list
>> Wien at zeus.theochem.tuwien.ac.at
>> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>
>
>
>
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
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>



-- 
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.