[Pw_forum] Error for fft_scalar.f90

[Paolo Giannozzi]

On Wed, Sep 2, 2015 at 1:23 AM, Mutlu COLAKOGULLARI <
mutlucolakogullari at trakya.edu.tr> wrote:

>
> The compiler procedure was exiting by an error when I used -D__DFTI
> instead of -D__FFTW3:
>
> fft_scalar.f90(1790): error #6404: This name does not have a type, and
> must have an explicit type.   [FFTW_ESTIMATE]
>
>              1, FFTW_ESTIMATE )
>
> ----------------^
>
> compilation aborted for fft_scalar.f90 (code 1).
>
Fixed (so to speak) yesterday:
http://qeforge.qe-forge.org/gf/project/q-e/scmsvn/?action=browse&path=%2F&view=rev&sortby=rev&sortdir=down&revision=11715

> the error has been disappeared When I add extra  #include "fftw3.f" into
> Modules/fft_scalar.f90 as following
>

This is a workaround but not the solution. The specialized FFT for "box
grid", used by CP to deal with augmentation charges, is just not
implemented (as far as I know). Note that CP does not work in serial in the
current svn. This will be fixed soon.

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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