4:00:37 PM PST - Thu, Jan 16th 2020 |
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Please do unset the env. variable LIBS
Since config.log shows that
LIBS_value='-lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -lnwpython -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -ldimqm -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -L/opt/nesi/CS400_centos7_bdw/impi/2018.4.274-GCC-7.4.0/lib64 -Wl,--start-group -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,--end-group -lgfortran -lpthread -L/opt/nesi/CS400_centos7_bdw/impi/2018.4.274-GCC-7.4.0/lib64 -Wl,--start-group -lmkl_scalapack_ilp64 -lmkl_blacs_intelmpi_ilp64 -lmkl_gf_ilp64 -lmkl_gnu_thread -lmkl_core -Wl,--end-group -lgfortran -lpthread -lnwclapack -lnwcblas -L/opt/nesi/CS400_centos7_bdw/impi/2018.4.274-GCC-7.4.0/intel64/lib/release_mt -L/opt/nesi/CS400_centos7_bdw/impi/2018.4.274-GCC-7.4.0/intel64/lib -lmpifort -lmpi -lmpigi -ldl -lrt -lpthread -lpthread -lnwcutil -lpython2.7 -ldl -lm -lpthread -lutil -lm -lpython2.7 -ldl -lm -lpthread -lutil -lm -Xlinker -export-dynamic
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