[Pw_forum] Strange behaviour of QE3.2 on a cluster

[Eyvaz Isaev]

Dear all, 

I have a very stupid situation running QE 3.2 CVS on IA64 based Linux cluster for phonon calculations for a bct lattice. 
The problem is that for 2 different, but almost identical jobs QE  behaves in a different way. Due to a queueing (and time) problem I started these two jobs using two different accounts.   For the first user its behaviour is OK, i.e. phonon calculations start and create  dynamical matrices  for several q-points. But for another user using the same binaries and on the same cluster it calculates phonons  only for the first (Gamma) point, then starts for nscf calculations  for the next q-point  (I see  last two lines "Band Structure Calculation" and "Davidson diagonalization ....." ), and then nothing happens for a long time.
The difference for these two calculations is only different c/a . 
Of course, I had to do the same test for the second user as for the first  (unfortunately, there is a queue problem) before sending the message,   but I can not explain such a kind strange  behaviour of the code. Very likely, it is connected to the cluster, because there is another Linux cluster where I am using QE 3.2, and it works well. 

Do you have an idea   how to fix this problem?

Very bests,
Eyvaz.




 
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