Dear Paul, Although this comes with a ton of delay, may I ask you with blas libraries are you using? I just remembered that Ubuntu (and Debian!) had a bug in the distributed Atlas libraries, affecting at least one single precision operation. Maybe some of the double precision operations are also affected:
https://bugs.launchpad.net/ubuntu/+source/atlas/+bug/363510 Additionally, the atlas libraries distributed with Ubuntu <= 10.04 and Debian Stable, which are the ones affected by this bug, are also quite old, 3.6.0, and may suffer from old, already fixed, bugs. As an alternative, you may want to try GotoBLAS, which is now a BSD library. The q-e binaries on my laptop are built with that library. Maybe others here have experience using that library. Link: http://www.tacc.utexas.edu/tacc-projects/gotoblas2/ Regards, Miguel On Sun, 14 Nov 2010 22:32:12 +0100 Paolo Giannozzi <giannozz at democritos.it> wrote: > > On Nov 13, 2010, at 21:02 , W2AGZ wrote: > > from gep_x : error # 38 error on zggev > > > > I smell a fortran compiler problem here > > > it might also be a library problem: zggev is a lapack routine, > and sometimes machine-optimized lapack do not work as > expected. That error used to be quite frequent in the past. > > P. > --- > Paolo Giannozzi, Dept of Chemistry&Physics, Univ. 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
