[Pw_forum] Strange behaviour of QE3.2 on a cluster
eyvaz_isaev at yahoo.com
Thu Mar 29 20:21:10 CEST 2007
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?
Looking for earth-friendly autos?
Browse Top Cars by "Green Rating" at Yahoo! Autos' Green Center.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users