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Problem installing elk-9.2.12

Elk Users
Elio
2024-02-03
2024-02-06
  • Elio

    Elio - 2024-02-03

    Dear all,

    I am trying to compile the latest versio of the ELK code with following mak.inc file:

    MMAKE = make
    F90 = mpiifort
    F90_OPTS = -g -O3 -assume byterecl -traceback -qopenmp
    F77 = mpiifort
    F77_OPTS =-g -O3 -assume byterecl -traceback -qopenmp
    LIB_LIBXC = libxcf90.a libxc.a
    SRC_LIBXC = libxcf90.f90 libxcifc.f90
    AR = ar
    SRC_MKL = mkl_stub.f90
    LIB_LPK = lapack.a blas.a
    LIB_FFT= fftlib.a
    LIB_W90 = libwannier.a
    !SRC_FFT=

    but at the end of the compilation, I am getting the error:

    /home/users/eamouj78/Softwares/elk-9.2.12/src/gradzf.f90:35: undefined reference to zfftifc_' /home/users/eamouj78/Softwares/elk-9.2.12/src/gradzf.f90:47: undefined reference tozfftifc_'
    eveqnfvz.o: In function eveqnfvz_': /home/users/eamouj78/Softwares/elk-9.2.12/src/eveqnfvz.f90:28: undefined reference tozhegvx_'
    eveqnzh.o: In function eveqnzh_': /home/users/eamouj78/Softwares/elk-9.2.12/src/eveqnzh.f90:29: undefined reference tozheevd_'
    gensmatk.o: In function gensmatk_': /home/users/eamouj78/Softwares/elk-9.2.12/src/gensmatk.f90:19: undefined reference tozdotc_'
    /home/users/eamouj78/Softwares/elk-9.2.12/src/gensmatk.f90:20: undefined reference to zdotc_' /home/users/eamouj78/Softwares/elk-9.2.12/src/gensmatk.f90:21: undefined reference tozdotc_'
    /home/users/eamouj78/Softwares/elk-9.2.12/src/gensmatk.f90:22: undefined reference to zdotc_' gradrf.o: In functiongradrf_':
    /home/users/eamouj78/Softwares/elk-9.2.12/src/gradrf.f90:35: undefined reference to zfftifc_' /home/users/eamouj78/Softwares/elk-9.2.12/src/gradrf.f90:43: undefined reference tozfftifc_'
    zftrf.o: In function zftrf_': /home/users/eamouj78/Softwares/elk-9.2.12/src/zftrf.f90:63: undefined reference tozfftifc_'
    gencfun.o: In function gencfun_': /home/users/eamouj78/Softwares/elk-9.2.12/src/gencfun.f90:61: undefined reference tozfftifc_'
    genvbmatk.o: In function genvbmatk_': /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:120: undefined reference tocfftifc_'
    /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:135: undefined reference to cfftifc_' /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:140: undefined reference tocdotc_'
    /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:142: undefined reference to sdot_' /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:75: undefined reference tocgemm_'
    /home/users/eamouj78/Softwares/elk-9.2.12/src/genvbmatk.f90:77: undefined reference to cgemm_' . . . . .libwannier.a(utility.o): In functionw90_utility_mp_utility_zgemm_':
    utility.F90:(.text+0x61): undefined reference to zgemm_' libwannier.a(utility.o): In functionw90_utility_mp_utility_diagonalize_':
    utility.F90:(.text+0x1e30): undefined reference to zhpevx_' libwannier.a(utility.o): In functionw90_utility_mp_utility_zgemm_new_':
    utility.F90:(.text+0x3783): undefined reference to `zgemm_'
    Makefile:226: recipe for target 'elk' failed
    make[1]: *** [elk] Error 1
    make[1]: Leaving directory '/home/users/eamouj78/Softwares/elk-9.2.12/src'
    Makefile:7: recipe for target 'all' failed
    make: *** [all] Error 2

    Any help would be appreciated

    Regards

    Elio

     
  • Elio

    Elio - 2024-02-04

    Dear all,

    Just to let you know, I managed to compile Elk successfully.

     
    • Andrew Shyichuk

      Andrew Shyichuk - 2024-02-06

      Congrats, and welcome to the "fiddling around with compilation" club.

       

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