| 6:12:29 PM PST - Thu, Jan 16th 2020 |
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I have no idea why LIBS was set. LDFLAGS, CFLAGS, FFLAGS and CPPFLAGS are set, too.
All these settings are going to clash with NWChem's makefile infrastructure.
ac_cv_env_LDFLAGS_set=set
ac_cv_env_LDFLAGS_value='-fopenmp -Wl,--export-dynamic -L/scale_wlg_nobackup/filesets/nobackup/nesi99999/brob695/easybuild/build/NWChem/6.8.1.revision133/gimkl-2018b-2018-06-14-Python-2.7.16/nwchem-6.8.1/lib/LINUX64 -L/scale_wlg_nobackup/filesets/nobackup/nesi99999/brob695/easybuild/build/NWChem/6.8.1.revision133/gimkl-2018b-2018-06-14-Python-2.7.16/nwchem-6.8.1/src/tools/install/lib'
ac_cv_env_LIBS_set=set
ac_cv_env_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 '
ac_cv_env_CFLAGS_set=set
ac_cv_env_CFLAGS_value='-m64 -Wall -O3 -funroll-loops -ffast-math -fopenmp -g '
ac_cv_env_CPPFLAGS_set=set
ac_cv_env_CPPFLAGS_value='-I. -I/scale_wlg_nobackup/filesets/nobackup/nesi99999/brob695/easybuild/build/NWChem/6.8.1.revision133/gimkl-2018b-2018-06-14-Python-2.7.16/nwchem-6.8.1/src/include -I/scale_wlg_nobackup/filesets/nobackup/nesi99999/brob695/easybuild/build/NWChem/6.8.1.revision133/gimkl-2018b-2018-06-14-Python-2.7.16/nwchem-6.8.1/src/tools/install/include -DMPICH_NO_ATTR_TYPE_TAGS -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DUSE_OPENMP -DEXT_INT -DLINUX -DLINUX64 -DNOIO -DEAFHACK -DPARALLEL_DIAG '
ac_cv_env_FFLAGS_set=set
ac_cv_env_FFLAGS_value=-fno-aggressive-loop-optimizations
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