[Wien] Wien 2K Startup

[Javad hashemifar]

Hello

I think by looking at the w2web interface you can easily find out
which sequence of commands have to be executed to get the desired
results. for example in the DOS page of the w2web interface it is
clearly seen that to get the DOS of a system the following commands
are required:
x lapw2 -qtl
edit case.int (should be done by your favorite editor. the format of case.int
                    is explained in UG)
x tetra
edit case.outputt (this step is not necessary)
dosplot

or by looking at the initialization page of w2web you can see that
which commands are required before starting a self consistent
calculation.

Bests
Hashemi

On 11/22/06, Malik <malik at dps.uibk.ac.at> wrote:
> Dear Tosrsten,
> Many thanks for your help, By Command-line version of the tutorial i
> mean to say If i have the struct file already with me then what commands
> i need to execute and in what order to get the results of the application.
> I infact dont know much about wien2k, So i can not validate the output
> produced by the application as a result of any command.
> I just have to find out a Solution for porting the application on to the
> Grid. for that i want to know the sequence in which commands must be
> executed for a successful run.
>
> Best regards,
>
> Malik.
>
>
> Torsten Andersen wrote:
>
> >Dear Malik,
> >
> >well, then Chapter 5... these scripts are what w2web calls for running
> >the programs, except for generating the structure file. w2web is not a
> >required interface if you know how to use shellscripts...
> >
> >I do not know what you mean by a "command-line version of the tutorial".
> >It exists in Postscript and PDF in the SRC directory. There is no "help"
> >mode of the "software"... but you can call the scripts with "-h" to get
> >hints.
> >
> >Best regards,
> >Torsten.
> >
> >Malik wrote:
> >
> >
> >>Dear Torsten,
> >>
> >>I wanted to have a Command-line version of the tutorial, the one
> >>provided in the chapter 3 uses the w2web server and does things in the
> >>background.
> >>could you  please point to a location where i can find such a tutorial.
> >>many thanks,
> >>
> >>Malik.
> >>
> >>Torsten Andersen wrote:
> >>
> >>
> >>
> >>
> >>>It is in the users guide... chapters 3 and 4.
> >>>
> >>>Best regards,
> >>>Torsten Andersen.
> >>>
> >>>Malik wrote:
> >>>
> >>>
> >>>
> >>>
> >>>
> >>>>Hi all,
> >>>>I am a Computer Science Graduate and working for the Wien2K
> >>>>implementation on Grid with University of Innsbruck.
> >>>>I want to locate a simple tutorial which states the Wien2k Execution on
> >>>>Linux System in Steps and explains the intermediate input and output of
> >>>>the application.
> >>>>
> >>>>i shall be very much grateful for any help.
> >>>>
> >>>>
> >>>>Many thanks and best regards,
> >>>>
> >>>>Malik
> >>>>_______________________________________________
> >>>>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
> >>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
> >>
> >>
> >>
> >
> >
> >
>
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===========================
Javad Hashemifar, Ph.D. student
Tel:  +98-311-3912375
Fax: +98-311-3912376
Physics Department, Isfahan University of Technology, 84156, Isfahan, Iran
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