[Wien] Problem with complication of lapw0

kachigusa kachigusa_otk at yahoo.co.jp
Tue May 2 11:53:02 CEST 2017


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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