[Q-e-developers] multiple definitions of fftw_version
Lorenzo Paulatto
lorenzo.paulatto at impmc.upmc.fr
Tue Jan 12 11:04:28 CET 2016
Hello,
and thank you for the new 5.3.0 release.
I have a problem compiling it with ifort 15.0.0 and linking against the intel
fftw3 interface:
ifort -o pw.x \
pwscf.o libpw.a ../../Modules/libqemod.a ../../FFTXlib/libqefft.a
../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/
libiotk.a -Wl,--start-group /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/
mkl/lib/intel64/libmkl_scalapack_lp64.a /opt/dev/intel/2015.0.022/
composer_xe_2015.0.090/mkl/lib/intel64/libmkl_intel_lp64.a /opt/dev/intel/
2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_core.a /opt/dev/
intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_sequential.a /
opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/
libmkl_blacs_sgimpt_lp64.a -Wl,--end-group -lpthread -lm /opt/dev/intel/
2015.0.022/composer_xe_2015/mkl/interfaces/fftw3xf/libfftw3xf_intel.a -L/
opt/sgi/mpt/mpt-2.11/lib -lmpi -lpthread /usr/lib64/libcpuset.so.1 /usr/lib64/
libbitmask.so.1
/opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/
libmkl_intel_lp64.a(fftw_version.o):(.rodata+0x0): multiple definition of
`fftw_version'
../../FFTXlib/libqefft.a(fft_stick.o):(.data+0x430): first defined here
ld: Warning: size of symbol `fftw_version' changed from 8 in ../../FFTXlib/
libqefft.a(fft_stick.o) to 25 in /opt/dev/intel/2015.0.022/
composer_xe_2015.0.090/mkl/lib/intel64/libmkl_intel_lp64.a(fftw_version.o)
make[2]: *** [pw.x] Error 1
make[2]: Leaving directory `/lustrework/paulatto/espresso/PW/src'
make[1]: *** [pw] Error 1
make[1]: Leaving directory `/lustrework/paulatto/espresso/PW'
make: *** [pw] Error 1
It is not especially clear to me what the source of the problem is, but I
guess that the fftw.h which comes with FFTXlib does not match the one in
/opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/include/fftw/fftw.h
Copying it over does not solve the problem as I get:
In file included from fft_stick.c(21):
fftw.c(163): error: identifier "notw_codelet" is undefined
extern notw_codelet fftw_no_twiddle_1;
^
t
Neither can I remove fftw.h and add a -I/opt/dev/intel/... because of how the
makefile is made:
make: *** No rule to make target `fftw.h', needed by `fft_stick.o'. Stop.
I noticed that fftw_version is only defined in fftw.c, which, if I understand
correctl, should not be compiled as I am using -D__FFTW3, but it is included
from fft_stick.c
I finally solved the problem by commenting out the definition of ffw_version
from FFTXlib/fftw.c, but I'm not sure the solution is ideal and I also have
doublt about which fftw is actually being used (the optimized intel one or the
one included?)
Another solution is to use -D__DFTI instead, which has some other advantages,
but Carlo expressed some concern about its thread safety and I'm left with the
doubt about what is actually being used in the code.
Could the experts have a go at this?
I'm attaching the relevant make.sys, renamed
--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/
23-24/4é16 Boîte courrier 115,
4 place Jussieu 75252 Paris Cédex 05
-------------- next part --------------
# make.sys. Generated from make.sys.in by configure.
# compilation rules
.SUFFIXES :
.SUFFIXES : .o .c .f .f90
# most fortran compilers can directly preprocess c-like directives: use
# $(MPIF90) $(F90FLAGS) -c $<
# if explicit preprocessing by the C preprocessor is needed, use:
# $(CPP) $(CPPFLAGS) $< -o $*.F90
# $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o
# remember the tabulator in the first column !!!
.f90.o:
$(MPIF90) $(F90FLAGS) -c $<
# .f.o and .c.o: do not modify
.f.o:
$(F77) $(FFLAGS) -c $<
.c.o:
$(CC) $(CFLAGS) -c $<
# topdir for linking espresso libs with plugins
TOPDIR = /home/paulatto/work/espresso
# DFLAGS = precompilation options (possible arguments to -D and -U)
# used by the C compiler and preprocessor
# FDFLAGS = as DFLAGS, for the f90 compiler
# See include/defs.h.README for a list of options and their meaning
# With the exception of IBM xlf, FDFLAGS = $(DFLAGS)
# For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas
# MANUAL_DFLAGS = additional precompilation option(s), if desired
# You may use this instead of tweaking DFLAGS and FDFLAGS
# BEWARE: will not work for IBM xlf! Manually edit FDFLAGS
MANUAL_DFLAGS =
DFLAGS = -D__INTEL -D__FFTW3 -D__MPI -D__PARA -D__SCALAPACK $(MANUAL_DFLAGS)
#DFLAGS = -D__INTEL -D__DFTI -D__MPI -D__PARA -D__SCALAPACK $(MANUAL_DFLAGS)
FDFLAGS = $(DFLAGS) $(MANUAL_DFLAGS)
# IFLAGS = how to locate directories where files to be included are
# In most cases, IFLAGS = -I../include
IFLAGS = -I../include -I/opt/sgi/mpt/mpt-2.11/include -I/opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/include
#-I/opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/include/fftw/
# MOD_FLAGS = flag used by f90 compiler to locate modules
# Each Makefile defines the list of needed modules in MODFLAGS
MOD_FLAG = -I
# Compilers: fortran-90, fortran-77, C
# If a parallel compilation is desired, MPIF90 should be a fortran-90
# compiler that produces executables for parallel execution using MPI
# (such as for instance mpif90, mpf90, mpxlf90,...);
# otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)
# If you have a parallel machine but no suitable candidate for MPIF90,
# try to specify the directory containing "mpif.h" in IFLAGS
# and to specify the location of MPI libraries in MPI_LIBS
MPIF90 = ifort
#F90 = ifort
CC = icc
F77 = ifort
# C preprocessor and preprocessing flags - for explicit preprocessing,
# if needed (see the compilation rules above)
# preprocessing flags must include DFLAGS and IFLAGS
CPP = cpp
CPPFLAGS = -P -C -traditional $(DFLAGS) $(IFLAGS)
# compiler flags: C, F90, F77
# C flags must include DFLAGS and IFLAGS
# F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax
CFLAGS = -O3 $(DFLAGS) $(IFLAGS)
F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)
FFLAGS = -Ofast -no-ipo -xHost -assume byterecl -g -traceback
# compiler flags without optimization for fortran-77
# the latter is NEEDED to properly compile dlamch.f, used by lapack
FFLAGS_NOOPT = -O0 -assume byterecl -g -traceback
# compiler flag needed by some compilers when the main is not fortran
# Currently used for Yambo
FFLAGS_NOMAIN = -nofor_main
# Linker, linker-specific flags (if any)
# Typically LD coincides with F90 or MPIF90, LD_LIBS is empty
LD = ifort
LDFLAGS =
LD_LIBS =
# External Libraries (if any) : blas, lapack, fft, MPI
# If you have nothing better, use the local copy :
# BLAS_LIBS = /your/path/to/espresso/BLAS/blas.a
# BLAS_LIBS_SWITCH = internal
BLAS_LIBS =
BLAS_LIBS_SWITCH = external
# If you have nothing better, use the local copy :
# LAPACK_LIBS = /your/path/to/espresso/lapack-3.2/lapack.a
# LAPACK_LIBS_SWITCH = internal
# For IBM machines with essl (-D__ESSL): load essl BEFORE lapack !
# remember that LAPACK_LIBS precedes BLAS_LIBS in loading order
LAPACK_LIBS =
LAPACK_LIBS_SWITCH = external
ELPA_LIBS_SWITCH = disabled
SCALAPACK_LIBS = -Wl,--start-group /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_scalapack_lp64.a /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_intel_lp64.a /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_core.a /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_sequential.a /opt/dev/intel/2015.0.022/composer_xe_2015.0.090/mkl/lib/intel64/libmkl_blacs_sgimpt_lp64.a -Wl,--end-group -lpthread -lm
# nothing needed here if the the internal copy of FFTW is compiled
# (needs -D__FFTW in DFLAGS)
FFT_LIBS = /opt/dev/intel/2015.0.022/composer_xe_2015/mkl/interfaces/fftw3xf/libfftw3xf_intel.a
# For parallel execution, the correct path to MPI libraries must
# be specified in MPI_LIBS (except for IBM if you use mpxlf)
MPI_LIBS =
# IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS
MASS_LIBS =
# ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv
AR = ar
ARFLAGS = ruv
# ranlib command. If ranlib is not needed (it isn't in most cases) use
# RANLIB = echo
RANLIB = ranlib
# all internal and external libraries - do not modify
FLIB_TARGETS = all
LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a
LIBS = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS) -L/opt/sgi/mpt/mpt-2.11/lib -lmpi -lpthread /usr/lib64/libcpuset.so.1 /usr/lib64/libbitmask.so.1
# wget or curl - useful to download from network
WGET = wget -O
# Install directory
PREFIX = $(INSTALLDIR)
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