[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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