[Wien] Wien 2K Startup [Thanks]

[Malik Muhammad Junaid]

Many thanks to Stefaan Cottenier,

I changed rather corrected the typo error and it solved the problem.

Many thanks once again.

Malik.
>
>
> Could it be that your variable SCRATCH is set to a content to which
> corresponds no directory? (for instance, I see it has the word 'wein',
> where one would expect 'wien'. Typo while setting up your variables?)
>
> Stefaan
>
>
>> I tried to execute the application using the scripts the First Script
>> 'init-lapw' run well but the second one 'run_lapw' terminated with the
>> error message the contents of the file lapw1.error are given below:
>> lapw1.error
>>  'INILPW' - can't open unit: 10
>>  'INILPW' -        filename: /home/malik/wein/work/TIC.vector
>>  'INILPW' -          status: unknown      form: unformatted
>>  'LAPW1' - INILPW aborted unsuccessfully.
>> --------
>>
>> Help is sought anxiously.
>> many thanks,
>>
>> Malik.
>>
>> Torsten Andersen wrote:
>>
>>> Dear Malik,
>>>
>>> Initialization is done using init_lapw, which users usually should do
>>> "by hand", since it takes "minutes" only. In order to run the system,
>>> the run*_lapw scripts are used (see chapter 5). Each of these scripts
>>> calls several programs, depending on the desired calculation.
>>>
>>> If you are using a queue-system, there are many other things to
>>> consider. For time-limited queues, one need an estimate of the time a
>>> cycle takes, and to create a queue that is suitable for this. If the
>>> program is to be distributed over several, at submit time unknown,
>>> machines, an environment variable has to contain a list of allocated
>>> CPUs, which can then by the submit script be translated into a
>>> .machines
>>> file for wien2k.
>>>
>>> There need to be a scratch directory with a unified name on all nodes
>>> (but not necessarily a shared directory).
>>>
>>> Disk I/O traffic is very high (enormous) in the programs lapwso and
>>> lapw2. It takes a fast RAID array to make these programs use 100% CPU
>>> time...
>>>
>>> Best regards,
>>> Torsten Andersen.
>>>
>>>
>>>
>>> Malik 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
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
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>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>
>>>>>
>>>>>
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>>>>
>>>>
>>>
>>>
>>>
>>
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>>
>
>
>
> --
> Stefaan Cottenier
> Instituut voor Kern- en Stralingsfysica
> K.U.Leuven
> Celestijnenlaan 200 D
> B-3001 Leuven (Belgium)
>
> tel: + 32 16 32 71 45
> fax: + 32 16 32 79 85
> e-mail: stefaan.cottenier at fys.kuleuven.be
>
>
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