[Wien] k-point parallel

[Ghosh SUDDHASATTWA]

Dear Wien2k users, 

I am sorry I am asking the same question again. In the machines file 

If I write 

1:nx80

1:nx80

1:nx80

The SCF runs with lapw1para and so on a single node (having 8 processors) in
3 cpu's (cores) 

 

Now if  write 

1:nx80:3

Granularity:3

Extrafine:1

It crashes 

 

Can anybody tell me as to how we can make the second one work. 

We have written a script but it works on several nodes but one cpu on a
single node. We are not able to do k-point parallel on several nodes with
all processors on each node. 

Can anybody help on getting this resolved. 

 

Thanks in advance 

Suddhasattwa 

 

 

 

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