Dear all, Following Paolo's warning, I've performed some tests with a not so surprising result: Paolo was right. For some reason, the ubuntu 9.10 builds of gfortran 4.3 and 4.4.1 give astonishingly different results for example07. Well, the pw.x output is the same as in the reference, but the lambda values... at least they are of the same order of magnitude. Mind you, for once this is not an ubuntu bug, as it also happens in self-compiled gfortran 4.4.3 (Red Hat 5.4 in this case). However, the differences in lambda don't seem important in the case of gfortran 4.1.2 (the default in Red Hat) or 4.2.4 (the oldest version available in ubuntu 9.10).
I'm going to check other examples to see whether there are very different phonon frequencies elsewhere, but I don't expect anything good at all. Regards, Miguel Paolo Giannozzi <giannozz at democritos.it> escribi?: > > On Mar 17, 2010, at 16:35 , Vo, Trinh (388C) wrote: > >> I am actually compiling QE with the current version of gfortran, >> and I have to think again whether I should continue to use it. :-). > > you should, unless you have evidence of the opposite, or unless > you are using exotic features, or the phonon code. The basic > functionalities seem to work. > > P. > --- > Paolo Giannozzi, Dept of Physics, University of Udine > via delle Scienze 208, 33100 Udine, Italy > Phone +39-0432-558216, fax +39-0432-558222 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- ---------------------------------------- Dr Miguel Martinez Canales Department of Physics & Astronomy University College London Gower Street, London, WC1E 6BT (UK) Fax: +44 207 679 0595 Tlf: +44 207 678 3476 ---------------------------------------- "If you have an apple and I have an apple and we exchange these apples then you and I will still each have one apple. But if you have an idea and I have an idea and we exchange these ideas, then each of us will have two ideas." George Bernard Shaw
