[Wien] error in k-point parallel execution

[Torsten Andersen]

Dear Mahmoud,

Congratulations! This is one of the "fringe benefits" of doing parallel 
computing... one gets to know a little about system administration and 
setup.

Best wishes for your calculations,

Torsten Andersen.

Mahmoud Payami wrote:
> Dear Torsten, Stefaan, Badis,
> 
> Many Thanks for all your comments on setting up for parallel execution. Now
> it works and I feel OK.
> 
> With kindest regards,
> Mahmoud Payami
> 
> 
> 
>>Dear Torsten, Stefaan, Kenneth,
>>
>>Thank you very much for your patience and valuable helps. I think with
> 
> these
> 
>>tip I am able to manage.
>>
>>With kind regards,
>>Mahmoud
>>
>>
>>
>>>>>What I mean is: When you log in on condmat2, do you have the same
> 
> home
> 
>>>>>directory as on localhost? You can test this with "touch
> 
> file_of_zero"
> 
>>>>>on localhost, then see if it is also present on condmat2.
>>>>
>>>>I executed the command "touch file_of_zero" on both "localhost" and
>>>>"condmat2" and no output resulted but the shell prompt.
>>>
>>>What Torsten meant is this: the command 'touch file_of_zero' will create
> 
> a
> 
>>>file with name 'file_of_zero' and no content (this gives you indeed no
>>>output but the prompt). Do 'ls -l file_of_zero', to see whether this
> 
> file
> 
>>is
>>
>>>created on localhost (it must). Then go to condmat2, and do 'ls -l
>>>file_of_zero' again (without touch first). Does that same file exists
> 
> also
> 
>>>there? If so, then localhost and condmat2 share the same directory, as
> 
> it
> 
>>>should. If not, then wien2k will not work in parallel.
>>>
>>>
>>>>>What do you get from "echo $SCRATCH" on localhost and condmat2?
>>>>
>>>>I get "./" from both pc's.
>>>
>>>If the directories are indeed shared, ./ should be OK. But for this
> 
> types
> 
>>of
>>
>>>clusters, it is more efficient to put $SCRATCH to /tmp: the large vector
>>>files will then be stored in the local /tmp of each machine, and will
> 
> not
> 
>>>fill the single disk of localhost (but don't forget to clean the /tmp of
>>>each machine from time to time...)
>>>
>>>
>>>>>What do you get from "echo $path" on localhost and condmat2?
>>>>
>>>>I get nothing using "echo $path" but usin "env" I get:
>>>
>>>For your bash, you need 'echo $PATH'.
>>>
>>>
>>>>>When you log in on condmat2, can you execute lapw1 manually? Try, in
> 
> a
> 
>>>>>shell: "which lapw1", and if it gives you a response, try "lapw1".
>>
>>What
>>
>>>>>is the result?
>>>>
>>>>I tried "which lapw1" on both PC's and obtained:
>>>>"/home/wien2k/.WIEN_ROOT/lapw1".
>>>>
>>>>I tried "run lapw1" on both PC's in the directory TiC which I had
>>
>>already
>>
>>>>worked with, and obtained:
>>>>------------
>>>>ERROR: option lapw1 does not exist !
>>>
>>>'run lapw1' does not exist. Use 'x lapw1' instead. (but with 'run lapw1'
>>
>>you
>>
>>>effictively use the 'run' command, as your output shows).
>>>
>>>Conclusion: it seems you have installed wien2k on all machines
> 
> separately,
> 
>>>and did not connect properly their disks. Therefore serial calculations
>>>work, parallel ones don't. In a good set-up, you have to install wien2k
>>
>>only
>>
>>>ONCE on a parallel cluster, namely on the disk that is NFS-shared by all
>>>machines (but I can't help you with the technical details about how to
> 
> do
> 
>>>that).
>>>
>>>Stefaan
>>>
>>>_______________________________________________
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>>>Wien at zeus.theochem.tuwien.ac.at
>>>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>>>
>>>
>>
>>
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>>
> 
> 
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-- 
Dr. Torsten Andersen        TA-web: http://deep.at/myspace/
AG Hübner, Department of Physics, Kaiserslautern University
http://cmt.physik.uni-kl.de    http://www.physik.uni-kl.de/