[Wien] case.scf Concatenation in wien2K [Parallel execution]

[Malik]

Dear Javad
Thank you for your response,  please note the following scenario with 
which i am working.
1. I am NOT using the parallel Version binaries or scripts provided with 
the application.
2. I dont have a NFS system where we can share the files from one 
machine to another.
3. We are sending the klist and lapw1_*.def and lapw2_*.def files onto 
remote machines.
4. In other Words my way of execution is different from that of the 
Parallel Execution carried out on a cluster or Share Memory Systems.

Question:
Is it possible to split the case.klist file so that we can send each 
kpoint to a remote machine and the processing for that kpoint is done 
independently over there without using data from other kpoints?

Many thanks
Malik.
PS: Thanks for the link for compilation of Parallel Wien2K
Javad hashemifar wrote:
> Dear Malik
>
> Please note that case.scfX files are not the input files but they are
> only output summary of the corresponding programs (lapwX, lcore, ...).
> For example case.scf1 is the output summary of lapw1 NOT the input
> file of lapw2.
> But if you are still interested to combine the scf files of all group
> of kpoints in a parallel run, please look at the lapw1para and
> lap2para scripts. In these scripts (close to their ends) there are
> commands that creates case.scf1 and case.scf2 out of case.scf1_X and
> case.scf2_X files.
> for example in the case of lapw1para the following commands does this job:
>
> sed "/NUMBER OF K-POINTS:/s/[0-9].*/$klist/" < $case.scf1${updn}_1
>   
>> $case.scf1$updn
>>     
>
> It means that to make case.scf1 it is enough to write the correct
> number of total kpoints at the end of case.scf1_1 and other
> case.scf1_X files are not required.
>
> Bests
> Javad Hashemifar
>
>   
>> I have a question regarding concatenation of multiple case.scf files.
>> I am running wien2k on multiple sites, by splitting the case.klist file
>> into multiple case.klist files and creating an appropriate lapw1_*.def
>> and lapw2_*.def.
>> i split the case.klist file in such a way that each case.klist_* file
>> contains one kpoint data.
>> after completing one iteration of the application i end up with multiple
>> case.scf1_* and case.scf2_* files corresponding to each case.klist_* file.
>> How do i combine these files to get a proper case.scf file which i can
>> use for input to the second iteration.
>>
>>
>> Many thanks for your help.
>>
>> best regards,
>>
>> Malik
>>
>> PS: Please note that neither i am using the -parallel switch nor i use
>> the mpi version of  the application for parallelization.
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>>
>>     
>
>
>