Thank Bert,
Below is the error i got
""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
Making libraries in nbo
make[1]: warning: -jN forced in submake: disabling jobserver mode.
ifort -c -i8 -align -w -g -vec-report1 -O2 -g -I. -I../include -I/root/Desktop/Nw/nwchem-5.1.1/src/include -I/root/Desktop/Nw/nwchem-5.1.1/src/tools/include -DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG nwnbo.F
../include/geomP.fh(114): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to [NW_MAX_GEOMS]
parameter (max_geom = nw_max_geoms)
^
../include/geomP.fh(117): error #6592: This symbol must be a defined parameter, an enumerator, or an argument of an inquiry function that evaluates to a . [NW_MAX_ATOM]
parameter (max_cent = nw_max_atom)
^
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""""
I follow all the steps stated in the Nwchem site(
http://nwchemgit.github.io/index.php/Release61:Interface#NBO)
and the NBO site to (like patching.......,etc)(
http://www.chem.wisc.edu/~nbo5/faq.htm Q16).
the compilation stop at building the final nwchem Lib. libnbo.a from nwnbo.o due to errors in geomP.fh.
below are the versions of Nwchem , NBO, and compilers i get the same error for all of them:
1- Nwchem Versions (5.0 , 5.1, 5.1.1 and the latest one)
2- NBO versions (5.9 , 5.0, and 5G)
3- Intel fortran (11, and 12) and gfortran.
Any help????