Dear Psi4 Users,
I am trying to install Psi4 in my laptop. While “make”, it is showing me errors.
from …/…/…/boost/boost_1_53_0/boost/function/function_base.hpp:21,
from …/…/…/boost/boost_1_53_0/boost/function/detail/prologue.hpp:17,
from …/…/…/boost/boost_1_53_0/boost/function/function_template.hpp:13,
from …/…/…/boost/boost_1_53_0/boost/function/detail/maybe_include.hpp:13,
from …/…/…/boost/boost_1_53_0/boost/function/function0.hpp:11,
from …/…/…/boost/boost_1_53_0/boost/python/errors.hpp:13,
from …/…/…/boost/boost_1_53_0/boost/python/handle.hpp:11,
from …/…/…/boost/boost_1_53_0/boost/python/converter/arg_to_python_base.hpp:7,
from …/…/…/boost/boost_1_53_0/boost/python/converter/arg_to_python.hpp:14,
from …/…/…/boost/boost_1_53_0/boost/python/call.hpp:15,
from …/…/…/boost/boost_1_53_0/boost/python/object_core.hpp:14,
from …/…/…/boost/boost_1_53_0/boost/python/object.hpp:9,
from …/…/…/boost/boost_1_53_0/boost/python/list.hpp:10,
from /home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/onebody.h:29,
from /home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/mints.h:29,
from /home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/multipoles.cc:23:
…/…/…/boost/boost_1_53_0/boost/cstdint.hpp:311:42: note: typedef boost::ulong_long_type boost::uint64_t
typedef ::boost::ulong_long_type uint64_t;
^
/home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/multipoles.cc:80:8: error: ‘uint64_t’ does not name a type
inline uint64_t binomial(int n, int c1)
^
/home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/multipoles.cc: In member function ‘virtual void psi::MultipoleInt::compute_pair(const psi::GaussianShell&, const psi::GaussianShell&)’:
/home/varun/SOFTWARES/psi4.0b5/src/lib/libmints/multipoles.cc:197:73: error: ‘binomial’ was not declared in this scope
double coef = (double) binomial(l, i);
^
…/MakeRules:38: recipe for target ‘multipoles.o’ failed
make[3]: *** [multipoles.o] Error 1
make[3]: *** Waiting for unfinished jobs…
make[3]: Leaving directory ‘/home/varun/SOFTWARES/psi4.0b5/objdir/src/lib/libmints’
Makefile:31: recipe for target ‘default’ failed
make[2]: *** [default] Error 1
make[2]: Leaving directory ‘/home/varun/SOFTWARES/psi4.0b5/objdir/src/lib’
Makefile:10: recipe for target ‘all’ failed
make[1]: *** [all] Error 1
make[1]: Leaving directory ‘/home/varun/SOFTWARES/psi4.0b5/objdir/src’
Makefile:28: recipe for target ‘all’ failed
make: *** [all] Error 1
varun@varun-HP-Pavilion-g6
please Help.
The problem is your compiler doesn’t support C++11. The type: unit64_t is defined in the new C++11 standard. Above that, your compiler is noting that boost also defines one; that’s what the boost lines are all about. Nevertheless, multipoles.cc is trying to use the C++11 version. I think the general consensus is that we are now requiring (or will be in the eminent future) C++11. For more details pertaining to approved C++ compilers see: https://github.com/psi4/psi4public/wiki/9_CXX
In case anyone stumbles across this thread again I should probably point out that we now have Linux binaries. So if your compiler doesn’t support C++11, just grab the binary. More info here: https://github.com/psi4/psi4public/wiki/1_Obtaining#condabinary
Dear PSI4 Users,
I am trying to install PSI4 on a linux cluster. I have configured the code with the following commands
cd obj
…/configure --with-blas=’-mkl’ --with-lapack=’-L /usr/lib64/atlas’
The configuration step is done with no error message. When I am trying to make, the following error message appears
collect2: ld returned 1 exit status
As I am a new user I cannot upload a separate file. Hence, I am giving a detailed error message with this mail for your kind perusal.
Please help me to install the code.
Thanks in advance.
Tamal
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPTEQR(char, int, double*, double*, double*, int, double*)': lapack_intfc.cc:(.text+0x3055): undefined reference todpteqr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPTCON(int, double*, double*, double, double*, double*)': lapack_intfc.cc:(.text+0x309b): undefined reference todptcon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPTRS(char, int, int, double*, double*, int)': lapack_intfc.cc:(.text+0x30e4): undefined reference todpptrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPTRI(char, int, double*)': lapack_intfc.cc:(.text+0x311d): undefined reference todpptri_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPTRF(char, int, double*)': lapack_intfc.cc:(.text+0x314d): undefined reference todpptrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPSVX(char, char, int, int, double*, double*, char, double*, double*, int, double*, int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x3231): undefined reference todppsvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPSV(char, int, int, double*, double*, int)': lapack_intfc.cc:(.text+0x3284): undefined reference todppsv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPRFS(char, int, int, double*, double*, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x331f): undefined reference todpprfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPEQU(char, int, double*, double*, double*, double*)': lapack_intfc.cc:(.text+0x3351): undefined reference todppequ_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPPCON(char, int, double*, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x339a): undefined reference todppcon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOTRS(char, int, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x33ee): undefined reference todpotrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOTRI(char, int, double*, int)': lapack_intfc.cc:(.text+0x3426): undefined reference todpotri_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOTRF(char, int, double*, int)': lapack_intfc.cc:(.text+0x3466): undefined reference todpotrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOSVX(char, char, int, int, double*, int, double*, int, char, double*, double*, int, double*, int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x358d): undefined reference todposvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOSV(char, int, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x35de): undefined reference todposv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPORFS(char, int, int, double*, int, double*, int, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x3699): undefined reference todporfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOEQU(int, double*, int, double*, double*, double*)': lapack_intfc.cc:(.text+0x36d0): undefined reference todpoequ_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPOCON(char, int, double*, int, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x3727): undefined reference todpocon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBTRS(char, int, int, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3791): undefined reference todpbtrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBTRF(char, int, int, double*, int)': lapack_intfc.cc:(.text+0x37cd): undefined reference todpbtrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBSVX(char, char, int, int, int, double*, int, double*, int, char, double*, double*, int, double*, int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x3906): undefined reference todpbsvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBSV(char, int, int, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3971): undefined reference todpbsv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBSTF(char, int, int, double*, int)': lapack_intfc.cc:(.text+0x39ad): undefined reference todpbstf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBRFS(char, int, int, int, double*, int, double*, int, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x3a85): undefined reference todpbrfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBEQU(char, int, int, double*, int, double*, double*, double*)': lapack_intfc.cc:(.text+0x3ae8): undefined reference todpbequ_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DPBCON(char, int, int, double*, int, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x3b58): undefined reference todpbcon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMTR(char, char, char, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3bfc): undefined reference todormtr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMRZ(char, char, int, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3cb3): undefined reference todormrz_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMRQ(char, char, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3d4c): undefined reference todormrq_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMR3(char, char, int, int, int, int, double*, int, double*, double*, int, double*)': lapack_intfc.cc:(.text+0x3df6): undefined reference todormr3_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMQR(char, char, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3e9c): undefined reference todormqr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMQL(char, char, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3f3c): undefined reference todormql_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMLQ(char, char, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x3fdc): undefined reference todormlq_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMHR(char, char, int, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x4093): undefined reference todormhr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORMBR(char, char, char, int, int, int, double*, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x4143): undefined reference todormbr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGTR(char, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4184): undefined reference todorgtr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGRQ(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x41e7): undefined reference todorgrq_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGQR(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4247): undefined reference todorgqr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGQL(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x42a7): undefined reference todorgql_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGLQ(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4307): undefined reference todorglq_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGHR(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4367): undefined reference todorghr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DORGBR(char, int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x43db): undefined reference todorgbr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DOPMTR(char, char, char, int, int, double*, double*, double*, int, double*)': lapack_intfc.cc:(.text+0x445c): undefined reference todopmtr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DOPGTR(char, int, double*, double*, double*, int, double*)': lapack_intfc.cc:(.text+0x44a5): undefined reference todopgtr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DHSEQR(char, char, int, int, int, double*, int, double*, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x4559): undefined reference todhseqr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DHSEIN(char, char, char, int, double*, int, double*, double*, double*, int, double*, int, int, int*, double*, int*, int*)': lapack_intfc.cc:(.text+0x4643): undefined reference todhsein_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DHGEQZ(char, char, char, int, int, int, double*, int, double*, int, double*, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x476f): undefined reference todhgeqz_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTTRS(char, int, int, double*, double*, double*, double*, int*, double*, int)': lapack_intfc.cc:(.text+0x47e2): undefined reference todgttrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTTRF(int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x4807): undefined reference todgttrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTSVX(char, char, int, int, double*, double*, double*, double*, double*, double*, double*, int*, double*, int, double*, int, double*)': lapack_intfc.cc:(.text+0x48e6): undefined reference todgtsvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTSV(int, int, double*, double*, double*, double*, int)': lapack_intfc.cc:(.text+0x492a): undefined reference todgtsv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTRFS(char, int, int, double*, double*, double*, double*, double*, double*, double*, int*, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x4a19): undefined reference todgtrfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGTCON(char, int, double*, double*, double*, double*, int*, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x4a89): undefined reference todgtcon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGSVP(char, char, char, int, int, int, double*, int, double*, int, double, double, int*, int*, double*, int, double*, int, double*, int, int*, double*, double*)': lapack_intfc.cc:(.text+0x4c07): undefined reference todggsvp_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGSVD(char, char, char, int, int, int, int*, int*, double*, int, double*, int, double*, double*, double*, int, double*, int, double*, int, double*, int*)': lapack_intfc.cc:(.text+0x4d65): undefined reference todggsvd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGRQF(int, int, int, double*, int, double*, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4de8): undefined reference todggrqf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGQRF(int, int, int, double*, int, double*, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x4e68): undefined reference todggqrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGLSE(int, int, int, double*, int, double*, int, double*, double*, double*, double*, int)': lapack_intfc.cc:(.text+0x4efb): undefined reference todgglse_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGHRD(char, char, int, int, int, double*, int, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x4fa9): undefined reference todgghrd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGGLM(int, int, int, double*, int, double*, int, double*, double*, double*, double*, int)': lapack_intfc.cc:(.text+0x503b): undefined reference todggglm_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGEVX(char, char, char, char, int, double*, int, double*, int, double*, double*, double*, double*, int, double*, int, int*, int*, double*, double*, double*, double*, double*, double*, double*, int, int*)': lapack_intfc.cc:(.text+0x51d5): undefined reference todggevx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGEV(char, char, int, double*, int, double*, int, double*, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x52aa): undefined reference todggev_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGESX(char, char, char, char, int, double*, int, double*, int, int*, double*, double*, double*, double*, int, double*, int, double*, double*, double*, int, int*, int)': lapack_intfc.cc:(.text+0x5405): undefined reference todggesx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGES(char, char, char, int, double*, int, double*, int, int*, double*, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x5518): undefined reference todgges_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGBAL(char, int, double*, int, double*, int, int*, int*, double*, double*, double*)': lapack_intfc.cc:(.text+0x5599): undefined reference todggbal_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGGBAK(char, char, int, int, int, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x561c): undefined reference todggbak_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGETRS(char, int, int, double*, int, int*, double*, int)': lapack_intfc.cc:(.text+0x5678): undefined reference todgetrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGETRI(int, double*, int, int*, double*, int)': lapack_intfc.cc:(.text+0x56ba): undefined reference todgetri_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGETRF(int, int, double*, int, int*)': lapack_intfc.cc:(.text+0x56f5): undefined reference todgetrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGESVX(char, char, int, int, double*, int, double*, int, int*, char, double*, double*, double*, int, double*, int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x5843): undefined reference todgesvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGESV(int, int, double*, int, int*, double*, int)': lapack_intfc.cc:(.text+0x5893): undefined reference todgesv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGESDD(char, int, int, double*, int, double*, double*, int, double*, int, double*, int, int*)': lapack_intfc.cc:(.text+0x5929): undefined reference todgesdd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGERQF(int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x5973): undefined reference todgerqf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGERFS(char, int, int, double*, int, double*, int, int*, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x5a39): undefined reference todgerfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEQRF(int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x5a83): undefined reference todgeqrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEQPF(int, int, double*, int, int*, double*, double*)': lapack_intfc.cc:(.text+0x5ac3): undefined reference todgeqpf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEQP3(int, int, double*, int, int*, double*, double*, int)': lapack_intfc.cc:(.text+0x5b0d): undefined reference todgeqp3_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEQLF(int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x5b53): undefined reference todgeqlf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELSY(int, int, int, double*, int, double*, int, int*, double, int*, double*, int)': lapack_intfc.cc:(.text+0x5be4): undefined reference todgelsy_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELSX(int, int, int, double*, int, double*, int, int*, double, int*, double*)': lapack_intfc.cc:(.text+0x5c71): undefined reference todgelsx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELSS(int, int, int, double*, int, double*, int, double*, double, int*, double*, int)': lapack_intfc.cc:(.text+0x5d04): undefined reference todgelss_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELSD(int, int, int, double*, int, double*, int, double*, double, int*, double*, int, int*)': lapack_intfc.cc:(.text+0x5db1): undefined reference todgelsd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELS(char, int, int, int, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x5e2b): undefined reference todgels_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGELQF(int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x5e73): undefined reference todgelqf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEHRD(int, int, int, double*, int, double*, double*, int)': lapack_intfc.cc:(.text+0x5ec7): undefined reference todgehrd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEGV(char, char, int, double*, int, double*, int, double*, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x5f9a): undefined reference todgegv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEGS(char, char, int, double*, int, double*, int, double*, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x606a): undefined reference todgegs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEEVX(char, char, char, char, int, double*, int, double*, double*, double*, int, double*, int, int*, int*, double*, double*, double*, double*, double*, int, int*)': lapack_intfc.cc:(.text+0x61b5): undefined reference todgeevx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEEV(char, char, int, double*, int, double*, double*, double*, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x625a): undefined reference todgeev_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEESX(char, char, char, int, double*, int, int*, double*, double*, double*, int, double*, double*, double*, int, int*, int)': lapack_intfc.cc:(.text+0x6343): undefined reference todgeesx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEES(char, char, int, double*, int, int*, double*, double*, double*, int, double*, int)': lapack_intfc.cc:(.text+0x63dd): undefined reference todgees_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEEQU(int, int, double*, int, double*, double*, double*, double*, double*)': lapack_intfc.cc:(.text+0x6437): undefined reference todgeequ_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGECON(char, int, double*, int, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x6497): undefined reference todgecon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEBRD(int, int, double*, int, double*, double*, double*, double*, double*, int)': lapack_intfc.cc:(.text+0x6501): undefined reference todgebrd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEBAL(char, int, double*, int, int*, int*, double*)': lapack_intfc.cc:(.text+0x6544): undefined reference todgebal_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGEBAK(char, char, int, int, int, double*, int, double*, int)': lapack_intfc.cc:(.text+0x65bc): undefined reference todgebak_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBTRS(char, int, int, int, int, double*, int, int*, double*, int)': lapack_intfc.cc:(.text+0x663b): undefined reference todgbtrs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBTRF(int, int, int, int, double*, int, int*)': lapack_intfc.cc:(.text+0x6696): undefined reference todgbtrf_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBSVX(char, char, int, int, int, int, double*, int, double*, int, int*, char, double*, double*, double*, int, double*, int, double*, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x6813): undefined reference todgbsvx_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBSV(int, int, int, int, double*, int, int*, double*, int)': lapack_intfc.cc:(.text+0x688a): undefined reference todgbsv_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBRFS(char, int, int, int, int, double*, int, double*, int, int*, double*, int, double*, int, double*, double*, double*, int*)': lapack_intfc.cc:(.text+0x6997): undefined reference todgbrfs_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBEQU(int, int, int, int, double*, int, double*, double*, double*, double*, double*)': lapack_intfc.cc:(.text+0x6a27): undefined reference todgbequ_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBCON(char, int, int, int, double*, int, int*, double, double*, double*, int*)': lapack_intfc.cc:(.text+0x6abb): undefined reference todgbcon_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DGBBRD(char, int, int, int, int, int, double*, int, double*, double*, double*, int, double*, int, double*, int, double*)': lapack_intfc.cc:(.text+0x6bac): undefined reference todgbbrd_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DDISNA(char, int, int, double*, double*)': lapack_intfc.cc:(.text+0x6be6): undefined reference toddisna_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DBDSQR(char, int, int, int, int, double*, double*, double*, int, double*, int, double*, int, double*)': lapack_intfc.cc:(.text+0x6ca8): undefined reference todbdsqr_’
…/…/…/lib/libPSI_qt.a(lapack_intfc.o): In function psi::C_DBDSDC(char, char, int, double*, double*, double*, int, double*, int, double*, int*, double*, int*)': lapack_intfc.cc:(.text+0x6d40): undefined reference todbdsdc_’
…/…/…/lib/libPSI_plugin.a(load_plugin.o): In function global constructors keyed to _ZN3psi11plugin_loadERSs': load_plugin.cc:(.text+0x15): undefined reference toboost::system::generic_category()’
load_plugin.cc:(.text+0x21): undefined reference to boost::system::generic_category()' load_plugin.cc:(.text+0x2d): undefined reference toboost::system::system_category()’
…/…/…/lib/libPSI_plugin.a(load_plugin.o): In function psi::plugin_load(std::basic_string<char, std::char_traits<char>, std::allocator<char> >&)': load_plugin.cc:(.text+0x339): undefined reference toboost::filesystem::path::stem() const’
collect2: ld returned 1 exit status
make[3]: *** […/…/…/bin/psi4] Error 1
make[3]: Leaving directory /hahome/home/anirban/work/psi4.0b5/obj/src/bin/psi4' make[2]: *** [default] Error 1 make[2]: Leaving directory/hahome/home/anirban/work/psi4.0b5/obj/src/bin’
make[1]: *** [all] Error 1
make[1]: Leaving directory `/hahome/home/anirban/work/psi4.0b5/obj/src’
make: *** [all] Error 1
You’re trying to compile the 4.0 beta5 from sourceforge? I really recommend building a newer version https://github.com/psi4/psi4public/wiki/1_Obtaining#clone-from-public-github-repository or just using the Linux binary http://www.psicode.org/psi4manual/master/conda.html#quick-installation .
Dear loriab,
Thank you for your quick and kind suggestion. It worked fine and I can now run the code successfully.
Thank you very much. It was of great help for me. Hope to get such help in future wherever I get stuck in running PSI4.
Sincerely,
Tamal
I compile PSI4, and report the same errors as you, how do you fix it? thank you in advance!
If you’re trying to compile the 4.0beta5 from sourceforge or any version that involves ./configure rather than the modern CMake version with ./setup, I still maintain that is a Bad Idea, and you should look at the links above for a more modern version of the code to compile or binary to download.