[QE-users] qe not finding fftw3.h

[Lorenzo Paulatto]

Hello Mahmood, I do not think that INCLUDEFFTW is a variable that is 
used by the current QE configure script. What you can quickly do to 
solve this problem is either copy fftw3.h from
/share/apps/fftw-3.3.8/include
to the include/ directory in quantum-espresso, or modify by hand 
make.inc adding -I/share/apps/fftw-3.3.8/include to the variable IFLAGS

regards

On 12/10/19 5:43 PM, Mahmood Naderan wrote:
> Hi,
> I have used the following command to specify fftw include dir, but the 
> make command fails with not finding fftw3.h
> 
> 
> ./configure LIBDIRS="/share/apps/OpenBLAS-0.3.7 
> /share/apps/scalapack-2.1.0 /share/apps/fftw-3.3.8/lib" 
> INCLUDEFFTW=/share/apps/fftw-3.3.8/include --prefix=`pwd`
> 
> 
> The following libraries have been found:
>    BLAS_LIBS=-L/share/apps/OpenBLAS-0.3.7 -lopenblas
>    LAPACK_LIBS= -L/share/apps/OpenBLAS-0.3.7 -lopenblas
>    FFT_LIBS=-L/share/apps/fftw-3.3.8/lib -lfftw3
> 
> 
> 
> $ make
> ...
> mpif90 -O3 -g -x f95-cpp-input -D__FFTW3 -D__MPI   
> -I/share/apps/q-e-qe-6.5//include -I/share/apps/q-e-qe-6.5//FoX/finclude 
> -I/share/apps/q-e-qe-6.5//S3DE/iotk/include/  -c fft_scalar.FFTW3.f90
> Warning: Nonexistent include directory 
> "/share/apps/q-e-qe-6.5//FoX/finclude"
> fft_scalar.FFTW3.f90:36:0: fatal error: fftw3.f: No such file or directory
> 
> 
> Any thought?
> 
> Regards,
> Mahmood
> 
> 
> 
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-- 
Lorenzo Paulatto - Paris