Hello,
I am trying now to compile NWChem on a MacBook Air which is running OS X El Capitan. I installed MPICH using MacPorts, gcc version 5.2.0. I have Xcode 7.2.
Here are the environmental variables used:
export NWCHEM_TARGET=MACX64
export USE_MPI="y"
export USE_MPIF="y"
export USE_MPIF4="y"
export CFLAGS_FORGA="-DMPICH_NO_ATTR_TYPE_TAGS"
export LIBMPI=" -lmpifort -lmpi -lpmpi -lpthread"
export BLASOPT=" "
export MPI_INCLUDE=/opt/local/include/mpich-mp
export MPI_LIB=/opt/local/lib/mpich-mp
When I try building NWChem, this is the error I get (i've omitted some portions of the output that I believe are not necessary here):
Making libraries in ccca
[...]
Undefined symbols for architecture x86_64:
"_ga_zdot_", referenced from:
_check_complex_ in libnwcutil.a(util_ga_test.o)
_mat_ztrace_ in libnwdft.a(matutils.o)
_zmat_diag_check_ in libnwdft.a(zmat_diag.o)
"_ga_zdot_patch_", referenced from:
_zpatch_test_ in libnwcutil.a(util_patch_test.o)
"_ma_alloc_get_", referenced from:
_bas_rtdb_do_load_ in libnwcutil.a(basis.o)
_bas_geobas_build_ in libnwcutil.a(basis.o)
_bas_add_ucnt_init_ in libnwcutil.a(basisP.o)
_bq_set_ in libbq.a(bq_data.o)
_bq_alloc_ in libbq.a(bq_data.o)
_cons_load_geom_ in libcons.a(cons.o)
_prop_input_ in libproperty.a(prop_input.o)
...
[...]
ld: symbol(s) not found for architecture x86_64
collect2: error: ld returned 1 exit status
make: *** [all] Error 1
If someone could please point me in the right direction as to where I could find a solution, it would be greatly appreciated.
Thank you!
Larissa
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