Great program, I'm able to throw all the configuration switches I want except for FFT. I understand external FFT is in development, but I just wanted to make sure I wasn't doing anything wrong.
On a clean Ubuntu installation, I throw the following command to install FFTW3 headers and libraries to places findable by compilers, also installing gfortran, since no Fortran compiler is provided by default.
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sudo apt-get install fftw3-dev gfortranI configure by simply throwing
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./configure --enable-fftRelevant lines from config.log are:
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configure:38751: checking whether to use optimized FFT libraries
configure:38753: result: yes
configure:38977: checking for the requested FFT support
configure:38979: result: fftw3
configure:39481: checking for dfftw_execute in -lfftw3
configure:39499: gfortran -o conftest -g -ffree-line-length-none conftest.F90 -lfftw3 >&5
configure:39506: $? = 0
configure:39527: result: yes
configure:39697: checking for dfftw_init_threads in -lfftw3_threads
configure:39715: gfortran -o conftest -g -ffree-line-length-none conftest.F90 -lfftw3_threads -lfftw3 >&5
configure:39722: $? = 0
configure:39743: result: yes
configure:40519: checking for the actual FFT support
configure:40521: result: fftw3-threads
Configure finishes successfully.
All of the make process goes smoothly, until I reach 98_main:
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Making all in 98_main
make[3]: Entering directory `/home/kumar/Downloads/abinit-6.2.2/src/98_main'
gfortran -ffree-form -J/home/kumar/Downloads/abinit-6.2.2/src/mods -O3 -fschedule-insns2 -march=nocona -mmmx -msse -msse2 -msse3 -mfpmath=sse -g -ffree-line-length-none -g -ffree-line-length-none -o abinit abinit-abinit.o ../../src/95_drive/lib95_drive.a ../../src/93_rdm/lib93_rdm.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/72_geomoptim/lib72_geomoptim.a ../../src/69_bse/lib69_bse.a ../../src/68_gw/lib68_gw.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/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/43_ptgroups/lib43_ptgroups.a ../../src/42_nlstrain/lib42_nlstrain.a ../../src/42_geometry/lib42_geometry.a ../../src/42_parser/lib42_parser.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/10_defs/lib10_defs.a ../../src/01_qespresso_ext/lib01_qespresso_ext.a ../../src/01_interfaces_ext/lib01_interfaces_ext.a -L/home/kumar/Downloads/abinit-6.2.2/plugins/libxc -lxc -L/home/kumar/Downloads/abinit-6.2.2/plugins/etsf_io -letsf_io_low_level -letsf_io_utils -letsf_io -L/home/kumar/Downloads/abinit-6.2.2/plugins/netcdf -lnetcdf -L/home/kumar/Downloads/abinit-6.2.2/prereqs/linalg -llapack -lblas -L/usr/lib/gcc/x86_64-linux-gnu/4.4.3 -L/usr/lib/gcc/x86_64-linux-gnu/4.4.3/../../../../lib -L/lib/../lib -L/usr/lib/../lib -L/usr/lib/gcc/x86_64-linux-gnu/4.4.3/../../.. -L/usr/lib/x86_64-linux-gnu -lgfortranbegin -lgfortran -lm
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `destroy_plans':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_fftw3_set_nthreads':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1398: undefined reference to `dfftw_plan_with_nthreads_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1376: undefined reference to `dfftw_init_threads_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_dplan_many_dft':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:2014: undefined reference to `dfftw_plan_many_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_fftw3_fftpad':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1680: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1696: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1624: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1639: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1634: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1686: more undefined references to `dfftw_execute_dft_' follow
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_fftw3_fftpad':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1658: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1592: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1660: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1659: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1594: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1593: more undefined references to `dfftw_destroy_plan_' follow
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_zplan_many_dft':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:2074: undefined reference to `dfftw_plan_many_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_fftpad_cplx':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1927: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1943: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1871: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1886: undefined reference to `dfftw_execute_dft_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1881: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1933: more undefined references to `dfftw_execute_dft_' follow
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_fftpad_cplx':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1905: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1839: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1907: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1906: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1841: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1840: more undefined references to `dfftw_destroy_plan_' follow
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_dplan_many_dft_r2c':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:2115: undefined reference to `dfftw_plan_many_dft_r2c_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `__m_fftw3_MOD_dplan_many_dft_c2r':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:2173: undefined reference to `dfftw_plan_many_dft_c2r_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_c2c_ip':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:252: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_c2c_op':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:352: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_many_dft_op':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:807: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_many_dft_ip':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:911: undefined reference to `dfftw_execute_dft_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_r2c_op':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:454: undefined reference to `dfftw_plan_dft_r2c_3d_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_r2c_op':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:478: undefined reference to `dfftw_execute_dft_r2c_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `destroy_plans':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o):/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: more undefined references to `dfftw_destroy_plan_' follow
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_c2r_op':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:686: undefined reference to `dfftw_plan_dft_c2r_3d_'
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:706: undefined reference to `dfftw_execute_dft_c2r_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `destroy_plans':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `insert_plan':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1173: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `destroy_plans':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1233: undefined reference to `dfftw_destroy_plan_'
../../src/52_fft_mpi_noabirule/lib52_fft_mpi_noabirule.a(m_fftw3.o): In function `fftw3_cleanup':
/home/kumar/Downloads/abinit-6.2.2/src/52_fft_mpi_noabirule/m_fftw3.F90:1309: undefined reference to `dfftw_cleanup_threads_'
collect2: ld returned 1 exit status
make[3]: *** [abinit] Error 1
make[3]: Leaving directory `/home/kumar/Downloads/abinit-6.2.2/src/98_main'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/kumar/Downloads/abinit-6.2.2/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/kumar/Downloads/abinit-6.2.2'
make: *** [all] Error 2Which is weird, because while configure shows FFTW3 is properly installed, it doesn't seem like any external fft library is linked to in the end.
Any illumination on this is greatly appreciated!
