[Wien] Problem with complication of lapw0

[tran at theochem.tuwien.ac.at]

Hi,

This is a (unclear) problem occuring with version 3.3.6
of FFTW. At present the only solution is to use one of the
previous versions:
http://download.openpkg.org/components/cache/fftw/

FT

On Tuesday 2017-05-02 11:53, kachigusa wrote:

>Date: Tue, 2 May 2017 11:53:02
>From: kachigusa <kachigusa_otk at yahoo.co.jp>
>Reply-To: A Mailing list for WIEN2k users <wien at zeus.theochem.tuwien.ac.at>
>To: wien at zeus.theochem.tuwien.ac.at
>Subject: [Wien] Problem with complication of lapw0
>
> Dear WIEN2k users,
>
> I am trying to install the version 16.1 of WIEN2k into my CentOS 6.9
> (64 bit) environment, but I was faced with a problem in parallel
> compilation of lapw0.
>
> I chose the following options.
>
> O   Compiler options:        -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -traceback -assume buffered_io -I$(MKLROOT)/include
> -axAVX2
> F   FFTW options:            -DFFTW3 -I/opt/fftw3.3.6/include
> X   LIBX options:            -DLIBXC -I/opt/libxc/include/
> E   ELPA options:
> L   Linker Flags:            $(FOPT)
> -L$(MKLROOT)/lib/$(MKL_TARGET_ARCH) -pthread
> P   Preprocessor flags       '-DParallel'
> R   R_LIB (LAPACK+BLAS):     -lmkl_lapack95_lp64 -lmkl_intel_lp64
> -lmkl_intel_thread -lmkl_core -openmp -lpthread
> FL  FFTW_LIBS:               -lfftw3_mpi -lfftw3 -L/opt/fftw3.3.6/lib
> XL  LIBXC_LIBS:              -L/opt/libxc/lib -lxcf03 -lxc
> EL  ELPA_LIBS:
>
> However, the following error messages were indicated in the
> compilation of lapw0.
>
> make PARALLEL='-DParallel' ./lapw0_mpi \
>   FORT=mpif90 FFLAGS=' -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip
> -DINTEL_VML -traceback -assume buffered_io
> -I/opt/intel/composer_xe_2015.0.090/mkl/include -DFFTW3
> -I/opt/fftw3.3.6/include '-DParallel''
> make[1]: Entering directory `/opt/WIEN2k/SRC_lapw0'
> mpif90 -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> -assume buffered_io -I/opt/intel/composer_xe_2015.0.090/mkl/include
> -DFFTW3 -I/opt/fftw3.3.6/include -DParallel -c modules.F
> mpif90 -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> -assume buffered_io -I/opt/intel/composer_xe_2015.0.090/mkl/include
> -DFFTW3 -I/opt/fftw3.3.6/include -DParallel -c W2kinit.F
> mpif90 -O1 -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback
> -assume buffered_io -I/opt/intel/composer_xe_2015.0.090/mkl/include
> -DFFTW3 -I/opt/fftw3.3.6/include -DParallel -c fft_modules.F
> fft_modules.F(86): error #6404: This name does not have a type, and
> must have an explicit type.   [FFTW_MPI_LOCAL_SIZE_3D]
>            total_local_size = fftw_mpi_local_size_3d(n(3), n(2),
> n(1), MPI_COMM_WORLD, &
> -------------------------------^
> fft_modules.F(117): error #6404: This name does not have a type, and
> must have an explicit type.   [FFTW_MPI_PLAN_DFT_3D]
>                forward_plan = fftw_mpi_plan_dft_3d (iff3_g, N_old(2),
> N_old(1),&
> -------------------------------^
> compilation aborted for fft_modules.F (code 1)
>
> Probably, this is a trivial mistake of mine. I'm terribly sorry for
> bothering you, but please point out my overlooked mistake.
>
> Thank you very much in advance.
>
> Best regards,
>
> Kachigusa
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