Здравствуйте!
Возникли проблемы в сборке этой программы (это квантовохимическая программа, можно скачать в свободном доступе).
Показать
linux-qjs2:~/DALTON-2013.4-Source/build # make
[ 0%] Built target gen1int
[ 1%] Built target gen1int_interface
[ 2%] Built target pelib
[ 2%] Built target generate_binary_info
Scanning dependencies of target dalton
[ 3%] Building Fortran object CMakeFiles/dalton.dir/binary_info.F90.o
Linking Fortran static library lib/libdalton.a
[ 69%] Built target dalton
Linking Fortran executable dalton.x
lib/libdalton.a(ccsd_energy.F.o): In function `ishurwitz_':
ccsd_energy.F:(.text+0x83d): undefined reference to `dgeev_'
lib/libdalton.a(cc_lanczos_drv.F.o): In function `cc_lanczos_drv_':
cc_lanczos_drv.F:(.text+0x3bd7): undefined reference to `dgeev_'
lib/libdalton.a(rspzfs.F.o): In function `zfsan1_':
rspzfs.F:(.text+0x13e2): undefined reference to `zheev_'
rspzfs.F:(.text+0x190b): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `locsum_':
sirlocsel.F:(.text+0x16f3): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `mexp_':
sirlocsel.F:(.text+0x2154): undefined reference to `zheev_'
lib/libdalton.a(sirqmmm.F.o): In function `make_qmmm_inverse_response_matrix_':
sirqmmm.F:(.text+0xfab6): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0xffb0): undefined reference to `dsptri_'
lib/libdalton.a(sirqmmm.F.o): In function `get_ind_dipoles_1_':
sirqmmm.F:(.text+0x1315d): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0x1319c): undefined reference to `dsptri_'
lib/libdalton.a(sirstex.F.o): In function `matfun_':
sirstex.F:(.text+0x406): undefined reference to `dsyev_'
lib/libdalton.a(sirstex.F.o): In function `uaug_':
sirstex.F:(.text+0xa4da): undefined reference to `dsyev_'
lib/libdalton.a(absorp.F.o): In function `absreduc_':
absorp.F:(.text+0xd9b7): undefined reference to `zsysv_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_lansp':
pe_lapack_interfaces.f90:(.text+0x118): undefined reference to `dlansp_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_ppcon':
pe_lapack_interfaces.f90:(.text+0x326): undefined reference to `dppcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_spcon':
pe_lapack_interfaces.f90:(.text+0x658): undefined reference to `dspcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrs':
pe_lapack_interfaces.f90:(.text+0x92c): undefined reference to `dpptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptri':
pe_lapack_interfaces.f90:(.text+0xab1): undefined reference to `dpptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrf':
pe_lapack_interfaces.f90:(.text+0xc01): undefined reference to `dpptrf_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrs':
pe_lapack_interfaces.f90:(.text+0xf17): undefined reference to `dsptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptri':
pe_lapack_interfaces.f90:(.text+0x11c2): undefined reference to `dsptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrf':
pe_lapack_interfaces.f90:(.text+0x140f): undefined reference to `dsptrf_'
/usr/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
ATL_getrfC.c:(.text+0x140): undefined reference to `cblas_dtrsm'
ATL_getrfC.c:(.text+0x19d): undefined reference to `cblas_dgemm'
ATL_getrfC.c:(.text+0x27d): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x386): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x4a2): undefined reference to `cblas_dtrsm'
ATL_getrfC.c:(.text+0x4b9): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x6cd): undefined reference to `cblas_dscal'
ATL_getrfC.c:(.text+0x72f): undefined reference to `cblas_dscal'
ATL_getrfC.c:(.text+0x774): undefined reference to `cblas_dscal'
/usr/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
ATL_getrfR.c:(.text+0xfc): undefined reference to `cblas_dtrsm'
ATL_getrfR.c:(.text+0x15f): undefined reference to `cblas_dgemm'
ATL_getrfR.c:(.text+0x223): undefined reference to `cblas_idamax'
ATL_getrfR.c:(.text+0x2ce): undefined reference to `cblas_dscal'
/usr/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
ATL_getrs.c:(.text+0xb1): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0xf3): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x161): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x1a8): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x222): undefined reference to `cblas_dtrsm'
/usr/lib64/atlas/liblapack.a(ATL_dgetrs.o):ATL_getrs.c:(.text+0x264): more undefined references to `cblas_dtrsm' follow
/usr/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
ATL_ilaenv.c:(.text+0x261): undefined reference to `ATL_zGetNB'
ATL_ilaenv.c:(.text+0x367): undefined reference to `ATL_dGetNB'
ATL_ilaenv.c:(.text+0x3f7): undefined reference to `ATL_sGetNB'
ATL_ilaenv.c:(.text+0x433): undefined reference to `ATL_dGetNB'
ATL_ilaenv.c:(.text+0x4ab): undefined reference to `ATL_cGetNB'
ATL_ilaenv.c:(.text+0x4f9): undefined reference to `ATL_cGetNB'
ATL_ilaenv.c:(.text+0x50f): undefined reference to `ATL_sGetNB'
ATL_ilaenv.c:(.text+0x561): undefined reference to `ATL_zGetNB'
/usr/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
ATL_getf2.c:(.text+0xb1): undefined reference to `cblas_idamax'
ATL_getf2.c:(.text+0x108): undefined reference to `cblas_dswap'
ATL_getf2.c:(.text+0x195): undefined reference to `ATL_dger'
ATL_getf2.c:(.text+0x234): undefined reference to `cblas_dscal'
collect2: error: ld returned 1 exit status
make[2]: *** [dalton.x] Ошибка 1
make[1]: *** [CMakeFiles/dalton.x.dir/all] Ошибка 2
make: *** [all] Ошибка 2
linux-qjs2:~/DALTON-2013.4-Source/build #
[ 0%] Built target gen1int
[ 1%] Built target gen1int_interface
[ 2%] Built target pelib
[ 2%] Built target generate_binary_info
Scanning dependencies of target dalton
[ 3%] Building Fortran object CMakeFiles/dalton.dir/binary_info.F90.o
Linking Fortran static library lib/libdalton.a
[ 69%] Built target dalton
Linking Fortran executable dalton.x
lib/libdalton.a(ccsd_energy.F.o): In function `ishurwitz_':
ccsd_energy.F:(.text+0x83d): undefined reference to `dgeev_'
lib/libdalton.a(cc_lanczos_drv.F.o): In function `cc_lanczos_drv_':
cc_lanczos_drv.F:(.text+0x3bd7): undefined reference to `dgeev_'
lib/libdalton.a(rspzfs.F.o): In function `zfsan1_':
rspzfs.F:(.text+0x13e2): undefined reference to `zheev_'
rspzfs.F:(.text+0x190b): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `locsum_':
sirlocsel.F:(.text+0x16f3): undefined reference to `dsyev_'
lib/libdalton.a(sirlocsel.F.o): In function `mexp_':
sirlocsel.F:(.text+0x2154): undefined reference to `zheev_'
lib/libdalton.a(sirqmmm.F.o): In function `make_qmmm_inverse_response_matrix_':
sirqmmm.F:(.text+0xfab6): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0xffb0): undefined reference to `dsptri_'
lib/libdalton.a(sirqmmm.F.o): In function `get_ind_dipoles_1_':
sirqmmm.F:(.text+0x1315d): undefined reference to `dsptrf_'
sirqmmm.F:(.text+0x1319c): undefined reference to `dsptri_'
lib/libdalton.a(sirstex.F.o): In function `matfun_':
sirstex.F:(.text+0x406): undefined reference to `dsyev_'
lib/libdalton.a(sirstex.F.o): In function `uaug_':
sirstex.F:(.text+0xa4da): undefined reference to `dsyev_'
lib/libdalton.a(absorp.F.o): In function `absreduc_':
absorp.F:(.text+0xd9b7): undefined reference to `zsysv_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_lansp':
pe_lapack_interfaces.f90:(.text+0x118): undefined reference to `dlansp_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_ppcon':
pe_lapack_interfaces.f90:(.text+0x326): undefined reference to `dppcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_spcon':
pe_lapack_interfaces.f90:(.text+0x658): undefined reference to `dspcon_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrs':
pe_lapack_interfaces.f90:(.text+0x92c): undefined reference to `dpptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptri':
pe_lapack_interfaces.f90:(.text+0xab1): undefined reference to `dpptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_pptrf':
pe_lapack_interfaces.f90:(.text+0xc01): undefined reference to `dpptrf_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrs':
pe_lapack_interfaces.f90:(.text+0xf17): undefined reference to `dsptrs_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptri':
pe_lapack_interfaces.f90:(.text+0x11c2): undefined reference to `dsptri_'
external/lib/libpelib.a(pe_lapack_interfaces.f90.o): In function `__pe_lapack_interfaces_MOD_sptrf':
pe_lapack_interfaces.f90:(.text+0x140f): undefined reference to `dsptrf_'
/usr/lib64/atlas/liblapack.a(ATL_dgetrfC.o): In function `ATL_dgetrfC':
ATL_getrfC.c:(.text+0x140): undefined reference to `cblas_dtrsm'
ATL_getrfC.c:(.text+0x19d): undefined reference to `cblas_dgemm'
ATL_getrfC.c:(.text+0x27d): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x386): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x4a2): undefined reference to `cblas_dtrsm'
ATL_getrfC.c:(.text+0x4b9): undefined reference to `cblas_idamax'
ATL_getrfC.c:(.text+0x6cd): undefined reference to `cblas_dscal'
ATL_getrfC.c:(.text+0x72f): undefined reference to `cblas_dscal'
ATL_getrfC.c:(.text+0x774): undefined reference to `cblas_dscal'
/usr/lib64/atlas/liblapack.a(ATL_dgetrfR.o): In function `ATL_dgetrfR':
ATL_getrfR.c:(.text+0xfc): undefined reference to `cblas_dtrsm'
ATL_getrfR.c:(.text+0x15f): undefined reference to `cblas_dgemm'
ATL_getrfR.c:(.text+0x223): undefined reference to `cblas_idamax'
ATL_getrfR.c:(.text+0x2ce): undefined reference to `cblas_dscal'
/usr/lib64/atlas/liblapack.a(ATL_dgetrs.o): In function `ATL_dgetrs':
ATL_getrs.c:(.text+0xb1): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0xf3): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x161): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x1a8): undefined reference to `cblas_dtrsm'
ATL_getrs.c:(.text+0x222): undefined reference to `cblas_dtrsm'
/usr/lib64/atlas/liblapack.a(ATL_dgetrs.o):ATL_getrs.c:(.text+0x264): more undefined references to `cblas_dtrsm' follow
/usr/lib64/atlas/liblapack.a(ATL_ilaenv.o): In function `ATL_ilaenv':
ATL_ilaenv.c:(.text+0x261): undefined reference to `ATL_zGetNB'
ATL_ilaenv.c:(.text+0x367): undefined reference to `ATL_dGetNB'
ATL_ilaenv.c:(.text+0x3f7): undefined reference to `ATL_sGetNB'
ATL_ilaenv.c:(.text+0x433): undefined reference to `ATL_dGetNB'
ATL_ilaenv.c:(.text+0x4ab): undefined reference to `ATL_cGetNB'
ATL_ilaenv.c:(.text+0x4f9): undefined reference to `ATL_cGetNB'
ATL_ilaenv.c:(.text+0x50f): undefined reference to `ATL_sGetNB'
ATL_ilaenv.c:(.text+0x561): undefined reference to `ATL_zGetNB'
/usr/lib64/atlas/liblapack.a(ATL_dgetf2.o): In function `ATL_dgetf2':
ATL_getf2.c:(.text+0xb1): undefined reference to `cblas_idamax'
ATL_getf2.c:(.text+0x108): undefined reference to `cblas_dswap'
ATL_getf2.c:(.text+0x195): undefined reference to `ATL_dger'
ATL_getf2.c:(.text+0x234): undefined reference to `cblas_dscal'
collect2: error: ld returned 1 exit status
make[2]: *** [dalton.x] Ошибка 1
make[1]: *** [CMakeFiles/dalton.x.dir/all] Ошибка 2
make: *** [all] Ошибка 2
linux-qjs2:~/DALTON-2013.4-Source/build #
На другом компе (своем) я ее собрал нормально. Правда сейчас решил ее пересобрать и почему-то тоже не собирается.
Необходимые библиотеки (blas, lapack, atlas) стоят
:(
