Problem emerged after successful configuring  [SOLVED]

option, parallelism,...

Moderators: fgoudreault, mcote

Forum rules
Please have a look at ~abinit/doc/config/build-config.ac in the source package for detailed and up-to-date information about the configuration of Abinit 8 builds.
For a video explanation on how to build Abinit 7.x for Linux, please go to: http://www.youtube.com/watch?v=DppLQ-KQA68.
IMPORTANT: when an answer solves your problem, please check the little green V-like button on its upper-right corner to accept it.
Locked
Serge
Posts: 25
Joined: Wed Apr 24, 2013 5:48 am

Problem emerged after successful configuring

Post by Serge » Wed May 29, 2013 7:29 am

Hello once more.

Configuring Abinit on a Linux system of 64 bits passes successfully but building fails. Here are the latest command lines of the process:

Code: Select all

/usr/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/usr/include -I/home/phys450/abinit-7.2.1/fallbacks/exports/include   -ffree-form -J/home/phys450/abinit-7.2.1/src/mods  -O2 -mtune=native -march=native -g -ffree-line-length-none   -c -o timana.o timana.F90
rm -f lib95_drive.a
ar rc lib95_drive.a abi_init_globals.o afterscfloop.o bethe_salpeter.o defs_scfcvargs.o driver.o dtfil_init1.o dtfil_init2.o dtfil_init_img.o elpolariz.o gstate.o gstateimg.o gw_driver.o iofn1.o loop3dte.o loper3.o mover.o nonlinear.o outscfcv.o pawuj_drive.o respfn.o scfcv.o scfcv_new.o scfcv_new2.o scfcv_init.o scfcv_init2.o scphon.o scphon_build_qsym_map.o scphon_check_fcart.o scphon_dynmat_to_freq2.o scphon_free_energy.o scphon_freq_to_dynmat.o scphon_freq_to_normmode.o scphon_ft_fcart.o scphon_interpolate_phonon_and_dos.o scphon_make_phonon_dos.o scphon_new_frequencies.o scphon_supercell_vectors_init.o scphon_update_xcart.o scphon_phonon_init.o scphon_qpoint_init.o screening.o sigma.o testfi.o timana.o interfaces_95_drive.o
ranlib lib95_drive.a
make[3]: Leaving directory `/home/phys450/abinit-7.2.1/src/95_drive'
Making all in 98_main
make[3]: Entering directory `/home/phys450/abinit-7.2.1/src/98_main'
/usr/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/home/phys450/abinit-7.2.1/fallbacks/exports/include   -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/usr/include -I/home/phys450/abinit-7.2.1/fallbacks/exports/include -I/usr/include/   -ffree-form -J/home/phys450/abinit-7.2.1/src/mods  -O2 -mtune=native -march=native -g -ffree-line-length-none    -g -ffree-line-length-none   -c -o abinit-abinit.o `test -f 'abinit.F90' || echo './'`abinit.F90
/usr/bin/mpif90 -ffree-form -J/home/phys450/abinit-7.2.1/src/mods  -O2 -mtune=native -march=native -g -ffree-line-length-none    -g -ffree-line-length-none     -o abinit abinit-abinit.o  ../../src/95_drive/lib95_drive.a ../../src/79_seqpar_mpi/lib79_seqpar_mpi.a ../../src/77_ddb/lib77_ddb.a ../../src/77_suscep/lib77_suscep.a ../../src/72_response/lib72_response.a ../../src/71_bse/lib71_bse.a ../../src/70_gw/lib70_gw.a ../../src/69_wfdesc/lib69_wfdesc.a ../../src/68_dmft/lib68_dmft.a ../../src/68_recursion/lib68_recursion.a ../../src/68_rsprc/lib68_rsprc.a ../../src/67_common/lib67_common.a ../../src/66_paw/lib66_paw.a ../../src/66_wfs/lib66_wfs.a ../../src/65_psp/lib65_psp.a ../../src/65_nonlocal/lib65_nonlocal.a ../../src/64_atompaw/lib64_atompaw.a ../../src/62_occeig/lib62_occeig.a ../../src/62_iowfdenpot/lib62_iowfdenpot.a ../../src/62_wvl_wfs/lib62_wvl_wfs.a ../../src/62_poisson/lib62_poisson.a ../../src/62_cg_noabirule/lib62_cg_noabirule.a ../../src/61_ionetcdf/lib61_ionetcdf.a ../../src/59_io_mpi/lib59_io_mpi.a ../../src/57_iovars/lib57_iovars.a ../../src/56_recipspace/lib56_recipspace.a ../../src/56_xc/lib56_xc.a ../../src/56_mixing/lib56_mixing.a ../../src/53_abiutil/lib53_abiutil.a ../../src/53_spacepar/lib53_spacepar.a ../../src/53_ffts/lib53_ffts.a  ../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a ../../src/51_manage_mpi/lib51_manage_mpi.a ../../src/49_gw_toolbox_oop/lib49_gw_toolbox_oop.a ../../src/47_xml/lib47_xml.a ../../src/45_psp_parser/lib45_psp_parser.a ../../src/45_geomoptim/lib45_geomoptim.a ../../src/44_abitypes_defs/lib44_abitypes_defs.a ../../src/43_wvl_wrappers/lib43_wvl_wrappers.a ../../src/43_ptgroups/lib43_ptgroups.a ../../src/42_nlstrain/lib42_nlstrain.a ../../src/42_parser/lib42_parser.a ../../src/41_geometry/lib41_geometry.a ../../src/32_util/lib32_util.a ../../src/28_numeric_noabirule/lib28_numeric_noabirule.a ../../src/27_toolbox_oop/lib27_toolbox_oop.a ../../src/18_timing/lib18_timing.a ../../src/16_hideleave/lib16_hideleave.a  ../../src/14_hidewrite/lib14_hidewrite.a ../../src/12_hide_mpi/lib12_hide_mpi.a ../../src/11_qespresso_ext/lib11_qespresso_ext.a ../../src/11_memory_mpi/lib11_memory_mpi.a ../../src/10_defs/lib10_defs.a  ../../src/01_linalg_ext/lib01_linalg_ext.a ../../src/01_interfaces_ext/lib01_interfaces_ext.a  -L/home/phys450/abinit-7.2.1/fallbacks/exports/lib -lwannier90 -L/home/phys450/abinit-7.2.1/fallbacks/exports/lib -lbigdft -ldft_common -labinit -L/home/phys450/abinit-7.2.1/fallbacks/exports/lib -letsf_io_low_level -letsf_io_utils -letsf_io -L/usr/lib -lnetcdf -lnetcdff -L/home/phys450/abinit-7.2.1/fallbacks/exports/lib -lxc -L/usr/x86_64-linux-gnu/ -lfftw3 -L/usr/lib -llapack -lf77blas -lcblas -latlas -lrt -L/usr/lib/openmpi/lib -L/usr/lib/gcc/x86_64-linux-gnu/4.7 -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../.. -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -lnsl -lutil -lgfortran -lm -lquadmath -lpthread -L/usr/lib/openmpi/lib -L/usr/lib/gcc/x86_64-linux-gnu/4.7 -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../x86_64-linux-gnu -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../../../lib -L/lib/x86_64-linux-gnu -L/lib/../lib -L/usr/lib/x86_64-linux-gnu -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/4.7/../../.. -lmpi_f90 -lmpi_f77 -lmpi -lopen-rte -lopen-pal -ldl -lnsl -lutil -lgfortran -lm -lquadmath -lpthread
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_cplan_many_dft':
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:2909: undefined reference to `sfftw_plan_many_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_fftw3_c2c_op_spc':
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:1803: undefined reference to `sfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_fftw3_execute_dft_spc':
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:3216: undefined reference to `sfftw_execute_dft_'
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:3216: undefined reference to `sfftw_execute_dft_'
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:3216: undefined reference to `sfftw_execute_dft_'
/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:3216: undefined reference to `sfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/phys450/abinit-7.2.1/src/52_fft_mpi_noabirule/m_fftw3.F90:3216: more undefined references to `sfftw_execute_dft_' follow
collect2: Error: ld execution failed with return code 1
make[3]: *** [abinit] Error 1
make[3]: Leaving directory `/home/phys450/abinit-7.2.1/src/98_main'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/phys450/abinit-7.2.1/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/phys450/abinit-7.2.1'
make: *** [all] Error 2
phys450@phys450-System-Product-Name /home/phys450/abinit-7.2.1 $


Here is the config.ac file:

Code: Select all

prefix="/opt/abinit-7.2.1"
enable_mpi="yes"
enable_mpi_io="yes"
with_mpi_prefix="/usr"
with_netcdf_incs="-I/usr/include"
with_netcdf_libs="-L/usr/lib -lnetcdf -lnetcdff"
with_fft_flavor="fftw3"
with_fft_incs="-I/usr/include/"
with_fft_libs="-L/usr/x86_64-linux-gnu/ -lfftw3"
with_linalg_flavor="atlas"
with_linalg_libs="-L/usr/lib -llapack -lf77blas -lcblas -latlas"
with_dft_flavor="atompaw+bigdft+libxc+wannier90"
enable_gw_dpc="yes"
enable_maintainer_checks="no"
enable_test_timeout="yes"
enable_gui_build="no"

Please, help me.

Thanks once more,

Serge.

User avatar
jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:

Re: Problem emerged after successful configuring  [SOLVED]

Post by jbeuken » Thu May 30, 2013 9:41 pm

Hi Serge,

your fftw3 package seems not support float

for example, on ubuntu, there are the float(single) ( libfftw3f.a ) and real ( libfftw3.a) libraries :
then the ac file contains :

Code: Select all

with_fft_flavor = fftw3
with_fft_incs = -I/usr/include/
with_fft_libs = -L/usr/lib64 -lfftw3 -lfftw3f


you must compile fftw3 with float support : ./configure --enable-float

jmb
------
Jean-Michel Beuken
Computer Scientist

gryko
Posts: 12
Joined: Tue Feb 26, 2013 5:56 pm

Re: Problem emerged after successful configuring

Post by gryko » Sun Oct 06, 2013 7:29 pm

I had the same problem - indeed, the FFTW3 must be compiled with the --enable-float option.
In fact, the FFTW3 must be compiled twice, without the --enable-float option to
make libfftw3 library, and then with the --enable-float option to make libfftw3f library.

Thank you,
Jan Gryko

User avatar
jbeuken
Posts: 365
Joined: Tue Aug 18, 2009 9:24 pm
Contact:

Re: Problem emerged after successful configuring

Post by jbeuken » Mon Oct 07, 2013 9:55 pm

of course...

sorry for my "inaccuracy"...

jmb
------
Jean-Michel Beuken
Computer Scientist

Locked