<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">Dear all, <br><br>I have a very stupid situation running QE 3.2 CVS on IA64 based Linux cluster for phonon calculations for a bct lattice. <br>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.<br>The difference for these two calculations is only different c/a . <br>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. <br><br>Do you have an idea how to fix this problem?<br><br>Very bests,<br>Eyvaz.<br></div></div><br>
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