[Pw_forum] linking fftw?

[ambavale sagar]

hi, i am trying to install espresso on my pc with gfortran and fftw v2 .
configure runs successfully but its message shows :( i have made some lines of message bold which i think should be looked at)



 

				
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	[phy at localhost espresso-3.2.3]$
./configure 

checking build system type...
i686-pc-linux-gnu 

checking architecture... ia32 

checking for ifort... no 

checking for ifc... no 

checking for pgf90... no 

checking for pathf95... no 

checking for g95... no 

checking for gfortran... gfortran 

configure: WARNING: In the future,
Autoconf will not detect cross-tools 

whose name does not start with the host
triplet.  If you think this 

configuration is useful to you, please
write to autoconf at gnu.org. 
checking for Fortran 77 compiler
default output file name... a.out 

checking whether the Fortran 77
compiler works... yes 

checking whether we are cross
compiling... yes 

checking for suffix of executables... 

checking for suffix of object files...
o 

checking whether we are using the GNU
Fortran 77 compiler... yes 

checking whether gfortran accepts -g...
yes 

checking for mpif90... no 

checking for gfortran... gfortran 

checking whether we are using the GNU
Fortran 77 compiler... yes 

checking whether gfortran accepts -g...
yes 

checking version of gfortran... unknown

setting F90... gfortran 

setting MPIF90... gfortran 

checking for cc... cc 

checking whether we are using the GNU C
compiler... yes 

checking whether cc accepts -g... yes 

checking for cc option to accept ISO
C89... none needed 

setting CC... cc 

checking how to run the C
preprocessor... cc -E 

checking for grep that handles long
lines and -e... /bin/grep 

checking for egrep... /bin/grep -E 

checking for ANSI C header files... yes

checking for sys/types.h... yes 

checking for sys/stat.h... yes 

checking for stdlib.h... yes 

checking for string.h... yes 

checking for memory.h... yes 

checking for strings.h... yes 

checking for inttypes.h... yes 

checking for stdint.h... yes 

checking for unistd.h... yes 

checking for int *... yes 

checking size of int *... 4 

checking malloc.h usability... yes 

checking malloc.h presence... yes 

checking for malloc.h... yes 

checking for struct mallinfo.arena...
yes 

checking for f77... no 

checking for gfortran... gfortran 

checking whether we are using the GNU
Fortran 77 compiler... yes 

checking whether gfortran accepts -g...
yes 

setting F77... gfortran 

setting FFLAGS... -O3 

setting F90FLAGS... $(FFLAGS) -x
f95-cpp-input 

setting FFLAGS_NOOPT... -O0 

setting CFLAGS... -O3 

setting CPP... cpp 

setting CPPFLAGS... -P -traditional 

setting LD... gfortran 

setting LDFLAGS... 

setting AR... ar 

setting ARFLAGS... ruv 

setting ARFLAGS_DYNAMIC...ruv 

checking whether make sets $(MAKE)...
yes 

checking whether Fortran files must be
preprocessed... no 

checking how to get verbose linking
output from gfortran... -v 

checking for Fortran 77 libraries of
gfortran...  -L/usr/lib/gcc/i386-redhat-linux/4.1.2
-L/usr/lib/gcc/i386-redhat-linux/4.1.2/../../.. -lgfortranbegin
-lgfortran -lm 

checking for dummy main to link with
Fortran 77 libraries... none 

checking for Fortran 77 name-mangling
scheme... lower case, underscore, no extra underscore 

checking for library containing
dgemm... no 

in /opt/intel/mkl/*/lib/32: checking
for library containing dgemm... no 

in /opt/intel/mkl*/lib/32: checking for
library containing dgemm... no 

in /cineca/prod/intel/lib: checking for
library containing dgemm... no 

checking for library containing
dgemm... no 

in /usr/local/lib: checking for library
containing dgemm... no 

checking for library containing
dgemm... no 

in /usr/local/lib: checking for library
containing dgemm... no 

checking for library containing
zggev... no 

in /usr/local/lib: checking for library
containing zggev... no 
setting BLAS_LIBS... ../flib/blas.a 

setting LAPACK_LIBS... ../flib/lapack.a

checking for library containing
fftwnd... -lfftw 

setting FFT_LIBS... -lfftw 

checking for library containing
fftwnd... (cached) -lfftw 

checking fftw.h usability... yes 

checking fftw.h presence... yes 

checking for fftw.h... yes 

setting MASS_LIBS... 

checking for library containing
mpi_init... no 

setting MPI_LIBS... 

checking for library containing
mpi_init... (cached) no 

setting DFLAGS... -D__FFTW 

setting IFLAGS... -I../include 

setting FDFLAGS... $(DFLAGS) 

checking for ranlib... ranlib 

setting RANLIB... ranlib 

configure: creating ./config.status 

config.status: creating
include/fft_defs.h 

config.status: creating make.sys 

config.status: creating configure.msg 

config.status: creating
include/c_defs.h 

config.status: include/c_defs.h is
unchanged 

--------------------------------------------------------------------

ESPRESSO can take advantage of several
optimized numerical libraries 

(essl, fftw, mkl...).  This configure
script attempts to find them, 

but may fail if they have been
installed in non-standard locations. 

If a required library is not found, the
local copy will be compiled. 



The following libraries have been
found: 

  BLAS_LIBS=../flib/blas.a 

  LAPACK_LIBS=../flib/lapack.a 

  FFT_LIBS= -lfftw 
Please check if this is what you
expect. 



If any libraries are missing, you may
specify a list of directories 

to search and retry, as follows: 

  ./configure LIBDIRS="list of
directories, separated by spaces" 



Parallel environment not detected \(is
this a parallel machine?\).\ 

Configured for compilation of serial
executables. 



For more info, read the ESPRESSO User's
Guide (Doc/users-guide.tex). 

--------------------------------------------------------------------

configure: success 








while "make all" gives following error which i think is related to linking problem and arose due to LDFLAG variable value.



.............................................
.......................................
.........................................


gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c problem_size.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c init.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c init_run.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c inner_loop.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c runsd.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c runcg_ion.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c rundiis.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c main.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c path_routines.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c main_loops.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c cplib_meta.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c metaxc.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c move_electrons.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c nl_base.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c nlcc.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c nl.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c optical.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c ortho.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c para.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c periodic.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c phasefactor.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c vanderwaals.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c potentials.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c print_out.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c pseudopot_sub.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c qmatrixd.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c qqberry.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c redis.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c restart.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c runcp.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c smd_modules.f90 

gfortran: -lfftw: linker input file
unused because linking not done 

gfortran -O3 -x f95-cpp-input -D__FFTW
-I../include  -lfftw -I./  -I../Modules  -I../iotk/src -I../PW 
-I../PH  -I../CPV -c smcp.f90 

 In file smcp.f90:677 



             &     ( 1,
sm_ndr,h,hold,nfi,rep_el(sm_k)%c0,rep_el(sm_k)%cm,rep(s 

                   1 

Error: Actual argument at (1) must be
definable to match dummy INTENT = OUT/INOUT 

make[1]: *** [smcp.o] Error 1 

make[1]: Leaving directory
`/home/phy/public/espresso-3.2.3/CPV' 

make: *** [cp] Error 2 

[phy at localhost espresso-3.2.3]$ 



so now what should i do???

thank you.


Sagar Ambavale
PhD student
m.s. university of baroda
india




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