[Wien] k-points parallel

[stargmoon]

Dear Joachim,
  
  Thanks a lot! Yes, I treated our distributed memory architecture to be shared memory one by mistake. 
  
  One more question, in one case, I requested 4 processors  and it  worked okay for lapw0 and lapw1, however, there is one lapw2 processor  (all other 3 finished quite soon) never finished without any error  message. There are no more output for the processor after the lines:
            --------------------------------------------------------------------
             W A V E F  U N C T I O N S   AND   C H A R G E S    IN   S P H E R E S
            --------------------------------------------------------------------
  
  
  
  
  :POS001: AT.NR.  -1 POSITION = 0.50000 0.50000 0.25000  MULTIPLICITY =  1
  
  
     NOT EQUIV ATOM Sn1         LOCAL ROTATION MATRIX
  
  Have anybody met this kind of problem? Could you please help me to see what probably happens in my calculations?
  
  Thanks in advance!
  
  Stargmoon

Joachim Luitz <buero at luitz.at> wrote:  stargmoon wrote:

> Recently, I am trying wien2k on our new cluster. The problem I met is, 
> I have .machines file (I am sure the format of this file is correct), 
> I try command run_lapw with option "-p". Yes, the program run with 
> k-points parallel, however, all excutables go to the same node (the 
> first node given in .machines file). Could anybody please tell me what 
> is the possible reason for my problem?

Did you by any change answer "yes" on the question whether you have a 
"shared memory architecture" during the run of siteconfig ?

Rerun siteconfig, answer "n" on this question  and try again.

Best
  Joachim

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