[Pw_forum] [Fwd: trying to compile espresso4.0.2]

[Lorenzo Paulatto]

Dear Eduardo,
it looks like the configure script has correctly detected the fftw
libraries you have installed in the system, but they were compiled with
a different compiler than the one you are using to compile QE, and they
are incompatible. Probably system's fftw were compiled with gfortran.
Instruct QE to use internal fftw libraries should solve the problem
(there is no difference in performance).

Please notice that linking QE with atlas libraries may be very tricky,
and be sure to use the last atlas version, as the older ones contained a
couple of bugs which caused random crashes and NaN's in the code. If you
have any more problems don't be afraid to ask on the list, some time ago
I've tried to make the compilation of QE + atlas easier; I've never
released the patches for apparent lack of interest (and possibility of
unwanted side-effects), but they may come handy to you.

regards

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/