[Wien] problem with compilation of parallel lapw0+fftw3, Wien2k 13.1

Natalia Pavlenko natalia.pavlenko at physik.uni-augsburg.de
Tue Nov 19 08:53:57 CET 2013


Dear users,

I am trying to install the last version 13.1 of Wien2k
and have a problem with parallel compilation of lapw0.
I have also installed fftw3-libraries, and try to include them
with the option -DFFTW3 directly in the Makefile in SRC_lapw0:

FPOPT =  -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io -DFFTW3

R_LIBS     = -lmkl_lapack95_lp64 -lmkl_intel_lp64 -lmkl_intel_thread 
-lmkl_core -openmp -lpthread
RP_LIBS = -lmkl_scalapack_lp64 -lmkl_blacs_lp64 
-L/alcc/gpfs1/home/exp6/pavlenna/lib/fftw/fftw-3.3.3/lib -lfftw3_mpi 
-lfftw3 $(R_LIBS)


The compilation gives the following errors:

make PARALLEL='-DParallel' ./lapw0_mpi \
   FORT=mpiifort FFLAGS=' -FR -mp1 -w -prec_div -pc80 -pad -ip 
-DINTEL_VML -traceback -assume buffered_io -DFFTW3 '-DParallel''
make[1]: Entering directory 
`/alcc/gpfs1/home/exp6/pavlenna/wien/SRC_lapw0'
cc -c cputim.c
mpiifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io -DFFTW3 -DParallel -c modules.F
mpiifort -FR -mp1 -w -prec_div -pc80 -pad -ip -DINTEL_VML -traceback 
-assume buffered_io -DFFTW3 -DParallel -c fft_modules.F
fft_modules.F(69): error #5102: Cannot open include file 
'fftw3-mpi.f03'
         include 'fftw3-mpi.f03'
----------------^
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(89): error #6404: This name does not have a type, and 
must have an explicit type.   [FFTW_ALLOC_COMPLEX]
             raw_data = fftw_alloc_complex(total_local_size)
-----------------------^
fft_modules.F(120): error #6404: This name does not have a type, and 
must have an explicit type.   [FFTW_FORWARD]
                                                      FFTW_FORWARD,&
-----------------------------------------------------^
fft_modules.F(121): error #6404: This name does not have a type, and 
must have an explicit type.   [FFTW_ESTIMATE]
                                                      FFTW_ESTIMATE)
-----------------------------------------------------^
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),&
-------------------------------^
fft_modules.F(125): error #6404: This name does not have a type, and 
must have an explicit type.   [FFTW_BACKWARD]
                                                      FFTW_BACKWARD,&
-------------------------------------

I would be grateful for any advices-- I have found some posts with 
similar compilation problems,
but for older versions of Wien2k (11.0-12.0) compiled with fftw2.


Best regards, Natalia Pavlenko

-- 
Dr. Natalia Pavlenko
Institute of Physics, University of Augsburg
Universitätstr.1, 86135 Augsburg
Tel.: 0821-5983664
Fax: 0821-5983652


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