[Wien] Wien 2K Startup

[Malik]

Thanks Torsten,

I assume that my problem domain is a little different, actually what i 
have to do is to run the application on Grid. which is a bit ahead of 
doing things with rsh and ssh.
i have to disect the aplication to the finest level and then build the 
things again, i can not use the complete run_lapw script.
The default parallel execution facility of the application might work 
good in a network or a cluster, but i m not sure that same is the case 
for Grid scenario.
Anyhow i will look into the manual in detail now.
Even then (with appologies) please stay ready for some more stupid 
question  :p

many thanks and best regards,

Malik.

Torsten Andersen wrote:

>(sigh) please use a few moments in reading the manual. What you try to 
>do could be done with a .machines file and the command:
>
>run_lapw -i 1 -p
>
>which will take care of all the splitting of the klist and the relevant 
>summations, including running lapw2 in parallel... and it will run a 
>full iteration for you like this...
>
>Reading the manual would also give you the advantage of not depending on 
>us to answer before you can do the next step...
>
>Best regards,
>Torsten Andersen.
>
>Malik wrote:
>  
>
>>Hi all,
>>I had to run wien2k on multiple machines for performance improvement.
>>for this puropse i have splitted the case.klist file into as many  
>>case.klist_* files as many i have kpoints data in the case.klist file.
>>and run lapw1 for each kpoint seperately. as a result i get 
>>case.energy_* files. how do i combine all these case.energy_* files into 
>>one csae.energy file so that i can run lapw2. because it needs only one 
>>case.energy file.
>>
>>thanks for your help in advance.
>>
>>malik.
>>
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>>
>>    
>>
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