[Wien] k point parallel in a supercomputer that returns a single name for .machines file

[Markus Kaukonen]

Dear Prof. Blaha & Wien2k,

On 23 December 2010 12:08, Peter Blaha <pblaha at theochem.tuwien.ac.at> wrote:
> Definitely you should not use such a .machines file.
>
> If I understand you correctly, using   #PBS -l mppwidth=14
> you request 14 cores. Why 14 ? I hope you do have 14 k-points
> (or a multiple of 14 ???)

Yes, I have 14 k-points and would like to run k-parallel job and not
MPI parallel jobs for 14 PE.
This seems to be not possible in an efficient way for wien2k in
machines which have nodes of 2-12 cores.
Did I get this right?
If so I'd add k-point only parallelism for multicore setups to my wish
list, or is there some reason why this would not make sense?

>
> Now you have to find out in your job script, which nodes you got.
> I'd assume,     echo $PBS_NODEFILE
> gives you the required info. On the PBS I've used, it would give me a list
> of 14 names.
This seems to be my problem in this particular system. For some reason
$PBS_NODEFILE gives me only one name eventhough
there should be at least two node names in this case. I try to sort this out.

Merry Christmas from the land of Santa,
Markus

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