[Wien] k-points parallelization

[stargmoon]

Hi Stefaan, 
  
  Thanks for your reply! I run jobs under bash shell. And the problem  connected to particular k-point, that is, big k-mesh. I also tried to  give .machines file by hand, and run lapw2 by hand "x lapw2 -p" also,  it does not work at all.
  
  Best regards,
  
  Stargmoon

Stefaan Cottenier <Stefaan.Cottenier at fys.kuleuven.be> wrote:    
>  I am sure I substitute the correct "X" value. I checked lapw2_X.def,
> there is no case.klist_X is contained. Only case.kgen is included in
> lapw2_X.def. I tried to turn on debug=1 in lapw2para, the output to
> case.dayfile stays in "waiting for processes:", and waiting forever.

This reminds me of a tcsh problem (some versions of tcsh have problems
with the 'wait' statement, and indeed wait forever in lapw2). Verify
whether that particular machine has another tcsh than the others. Try to
run the same job but distributed over all machines that are not that
one: does it run now? (i.e.: is your problem connected to a particular
machine, or is it connected to a particular k-point?)

Stefaan


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