elk-8.6.7: undefined reference to `sfftw_plan_dft_'

[Youzhao Lan]

Dear all,
I compiled the elk-8.6.7 and got the following error:

cfftifc_fftw.o: In function `cfftifc_':
cfftifc_fftw.f90:(.text+0x56): undefined reference to `sfftw_plan_dft_'
cfftifc_fftw.f90:(.text+0x69): undefined reference to `sfftw_execute_'
cfftifc_fftw.f90:(.text+0x7c): undefined reference to `sfftw_destroy_plan_'
cfftifc_fftw.o: In function `rcfftifc_':
cfftifc_fftw.f90:(.text+0x271): undefined reference to `sfftw_plan_dft_c2r_'
cfftifc_fftw.f90:(.text+0x285): undefined reference to `sfftw_execute_'
cfftifc_fftw.f90:(.text+0x299): undefined reference to `sfftw_destroy_plan_'
cfftifc_fftw.f90:(.text+0x2dd): undefined reference to `sfftw_plan_dft_r2c_'
cfftifc_fftw.f90:(.text+0x2f1): undefined reference to `sfftw_execute_'
cfftifc_fftw.f90:(.text+0x305): undefined reference to `sfftw_destroy_plan_'
collect2: error: ld returned 1 exit status

Is anything missing?

My system:
Linux, x84_64. CentOS 7.8. gcc 9.20, fftw-3.3.10, lapack-3.7.0
My make.inc:

MAKE = make
AR = ar


# Elk requires BLAS/LAPACK and fast Fourier transform (FFT) libraries.

# We recommend using optimised, mutithreaded BLAS/LAPACK libaries such as those
# provided by the Intel Math Kernel Library (MKL), OpenBLAS or BLIS.

# Elk can use either the Fastest Fourier Transform in the West (FFTW) or the
# MKL FFT. Both single and double precision versions of the FFT are needed.



#------------------------------------------------------------------------------#
#                                  Libraries                                   #
#------------------------------------------------------------------------------#

#-------------------------------------------------------------------------------
SRC_MKL = mkl_stub.f90
# To enable MKL multithreaded parallelism, uncomment the following line and link
# with the MKL library.
#SRC_MKL =
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
SRC_OBLAS = oblas_stub.f90
# To enable OpenBLAS multithreaded parallelism, uncomment the following line and
# link with the OpenBLAS library.
#SRC_OBLAS =
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
SRC_BLIS = blis_stub.f90
# To enable BLIS multithreaded parallelism, uncomment the following line and
# link with the BLIS library.
#SRC_BLIS =
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# If your compiler does *not* support the Message Passing Interface (MPI) then
# uncomment the line below.
#SRC_MPI = mpi_stub.f90
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# Elk supports two FFT libraries:
#   Fastest Fourier Transform in the West (FFTW)
#   Intel Math Kernel Library (MKL) Fast Fourier Transform
#
# FFTW is enabled by default with:
SRC_FFT = zfftifc_fftw.f90 cfftifc_fftw.f90
#
# To enable MKL FFT instead, copy mkl_dfti.f90 to the elk/src directory and
# uncomment the line below.
#SRC_FFT = mkl_dfti.f90 zfftifc_mkl.f90 cfftifc_mkl.f90
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
SRC_LIBXC = libxcifc_stub.f90
# To enable Libxc first download and compile version 5.x of the library. Next
# copy the files libxcf90.a and libxc.a to the elk/src directory and uncomment
# the following lines.
LIB_LIBXC = libxcf90.a libxc.a
SRC_LIBXC = libxcf90.f90 libxcifc.f90
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
SRC_W90S = w90_stub.f90
# To enable the Wannier90 library copy libwannier.a to the elk/src directory and
# uncomment the following lines.
#SRC_W90S =
#LIB_W90 = libwannier.a
#-------------------------------------------------------------------------------



#------------------------------------------------------------------------------#
#                                  Compilers                                   #
#------------------------------------------------------------------------------#

#-------------------------------------------------------------------------------
# GNU Fortran compiler with MKL.
#F90 = mpif90
#F90_OPTS = -Ofast -march=native -mtune=native -fomit-frame-pointer -fopenmp -ffpe-summary=none -fallow-argument-mismatch
#F90_LIB = -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -lpthread
#SRC_MKL =
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# GNU Fortran compiler with OpenBLAS, LAPACK and FFTW
F90 = mpif90
F90_OPTS = -Ofast -march=native -mtune=native -fomit-frame-pointer -fopenmp -ffpe-summary=none -ffree-line-length-0
#F90_LIB = liblapack.a libblas.a libfftw3.a libfftw3_threads.a
F90_LIB = -L./ -llapack -lblas -lfftw3
#F90_LIB = -lopenblas -llapack -lfftw3
#SRC_OBLAS =
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# GNU Fortran debugging options.
#F90 = gfortran
#F90_OPTS = -O3 -Wunused -fopenmp
#F90_LIB = -lmkl_gf_lp64 -lmkl_gnu_thread -lmkl_core -lpthread
#SRC_MKL =
#SRC_MPI = mpi_stub.f90
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# Intel MPI Fortran version 18 and later.
#F90 = mpiifort
#F90_OPTS = -O3 -xHost -ipo -qopenmp -mkl=parallel
#F90_LIB = -liomp5 -lpthread -lm -ldl
#SRC_MKL =
#AR = xiar
#-------------------------------------------------------------------------------

#-------------------------------------------------------------------------------
# Intel Fortran debugging and profiling options.
#F90 = mpiifort
#F90_OPTS = -O3 -qopenmp -mkl=parallel -pg
#F90_LIB = -liomp5 -lpthread -lm -ldl
#SRC_MKL =
#-------------------------------------------------------------------------------

Best regards.

Youzhao Lan

[J. K. Dewhurst]

Hi Youzhao,

Elk now needs both single and double precision fast Fourier transforms.

Linking to both single and double precision FFTW libraries seems to be system-dependent. You may have to include both as follows:

mpif90 ... -lfftw3f -lfftw3 ...

On my PC only '-lfftw3' is needed.

Regards,
Kay.

[Mikhail Nestoklon]

Hi!
Had same problem yesterday, the fix is to compile also single precision version of FFTW (add "--enable-single" whrn running configure) then link against both versions (in make.inc replace"-lfftw3" with "-lfftw3 -lfftw3f").
Did work for me.

Sincerely yours
Mikhail Nestoklon

[J. K. Dewhurst]

Thanks Mikhail.

MKL's FFT also has both single and double precision versions built-in, if you can't get FFTW to work.

Regards,
Kay.