Hi,
I added your given lines exactly to my build script. But this time I got a problem with compiling NWChem.
It seems there is problem with compiling nwxc, and build. Should I add "all" to the NWCHEM_MODULES??
cat: /share/apps/nwchem-6.6/src/tools/build/config.h: No such file or directory
make[1]: Entering directory `/share/apps/nwchem-6.6/src/nwxc'
ifort -c -i8 -align -fpp -vec-report6 -fimf-arch-consistency=true -finline-limit=250 -O3 -unroll -ip -xHost -I. -I./nwad -I/share/apps/nwchem-6.6/src/include -I/share/apps/nwchem-6.6/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG nwxc.F
nwad.F(619): #error: can't find include file: inp.fh
nwxc_eval.F(305): #error: can't find include file: mafdecls.fh
nwxc_eval.F(1838): #error: can't find include file: mafdecls.fh
nwxc_eval.F(3579): #error: can't find include file: mafdecls.fh
make[1]: *** [/share/apps/nwchem-6.6/lib/LINUX64/libnwxc.a(nwxc.o)] Error 4
make[1]: Leaving directory `/share/apps/nwchem-6.6/src/nwxc'
make: *** [optimized] Error 2
cat: /share/apps/nwchem-6.6/src/tools/build/config.h: No such file or directory
grep: /share/apps/nwchem-6.6/src/tools/build/Makefile: No such file or directory
grep: /share/apps/nwchem-6.6/src/tools/build/Makefile: No such file or directory
grep: /share/apps/nwchem-6.6/src/tools/build/comex/Makefile: No such file or directory
make nwchem.o stubs.o
cat: /share/apps/nwchem-6.6/src/tools/build/config.h: No such file or directory
make[1]: Entering directory `/share/apps/nwchem-6.6/src'
ifort -i8 -align -fpp -vec-report6 -fimf-arch-consistency=true -finline-limit=250 -O2 -g -fp-model source -I. -I/share/apps/nwchem-6.6/src/include -I/share/apps/nwchem-6.6/src/tools/install/include -DEXT_INT -DLINUX -DLINUX64 -DIFCV8 -DIFCLINUX -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/share/apps/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F
nwchem.F(4): #error: can't find include file: mafdecls.fh
nwchem.F(5): #error: can't find include file: global.fh
nwchem.F(6): #error: can't find include file: rtdb.fh
nwchem.F(7): #error: can't find include file: tcgmsg.fh
nwchem.F(8): #error: can't find include file: pstat.fh
nwchem.F(10): #error: can't find include file: inp.fh
nwchem.F(373): #error: can't find include file: global.fh
nwchem.F(374): #error: can't find include file: inp.fh
nwchem.F(375): #error: can't find include file: mafdecls.fh
nwchem.F(630): #error: can't find include file: global.fh
nwchem.F(632): #error: can't find include file: inp.fh
nwchem.F(633): #error: can't find include file: mafdecls.fh
nwchem.F(634): #error: can't find include file: rtdb.fh
make[1]: *** [nwchem.o] Error 13
make[1]: Leaving directory `/share/apps/nwchem-6.6/src'
make: *** [link] Error 2
Done Making Nwchem
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