[Wien] Wien 2K Startup

[Stefaan Cottenier]

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
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>> _______________________________________________
>>>>> 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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>



-- 
Stefaan Cottenier
Instituut voor Kern- en Stralingsfysica
K.U.Leuven
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B-3001 Leuven (Belgium)

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