[Octopus-users] Problems with fftw3 and pgf90
marques at teor.fis.uc.pt
Tue Apr 19 12:14:33 WEST 2005
> Without FFTs, the calculation of the Hartree term gets very much
> slower. I would advice you to try to get FFTs working in some way. Indeed
> the problem is the one you mention, but I cannot help you with only that
> information. Maybe if you read the previous lines of the config.log file
> you will find what is the reason for the compilers to fail. Are you
> compiling FFTW3 also with pgcc/pgf90?
For what you say the problem is clearly that fftw is *not* compiling its
fortran interface. Of course that octopus uses this interface, and so it
can not work. Common problems are
*) variable LDFLAGS have some value that the C/F90 compiler does not
*) variable F77 (or F90 or whatever the fftw3 uses) has the wrong value.
Note that fftw3 still uses the old autoconf syntax, and not the new (FC)
*) variable F90LIBS (or something like that) that is usually setup by
the configuration script is wrong. There is a bug in some autoconf
versions (I think the one that fftw3 uses has it), that for some
compilers it sets this variable to funny things like -L\ -L" which then
cause the linking to choke.
If you sen us the config.log and the output of the ./configure script of
fftw3 maybe I can be more precise ;)
More information about the Octopus-users