I used tar xvzf to unpack the software and changed the name of the directory into nwchem-6.3, but the compilation still failed. A lot of compilations contained warnings. By the way, I installed GAMESS binary and compiled Dalton2013.3 on the same computer. The message form the terminal is as the followingBASH-3.2# make nwchem_config
config/makefile.h:145: /users/computation/nwchem-6.3/src/config/nwchem_config.h: No such file or directory
/Applications/Xcode.app/Contents/Developer/usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all"
echo \# This configuration generated automatically on \
`hostname` at `date` > nwchem_config.h
echo "# Request modules from user: all" >> nwchem_config.h
echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft nwxc rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq cons perfm dntmc dangchang ccca" >> nwchem_config.h
echo "NW_MODULE_LIBS = -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lnwxc -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca" >> nwchem_config.h
echo "EXCLUDED_SUBDIRS = develop scfaux plane_wave oimp2 rimp2_grad python argos diana uccsdt rism geninterface transport smd nbo leps"
...... sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \
done
BASH-3.2# make
test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64
test -d /users/computation/nwchem-6.3/lib/MACX || mkdir -p /users/computation/nwchem-6.3/lib/MACX
test -d /users/computation/nwchem-6.3/bin/MACX || mkdir -p /users/computation/nwchem-6.3/bin/MACX
./util/util_nwchem_version.bash
Making libraries in tools
mkdir -p lib/MACX
mkdir -p include*** Building Parallel Tools ****
>>> making Memory Allocator (MA) library <<<
(cd ./ma; /Applications/Xcode.app/Contents/Developer/usr/bin/make)
if [ -f *.stamp ]; then\
/Applications/Xcode.app/Contents/Developer/usr/bin/make cleanstamp;\
fi
cp macommon.h matypes.h macdecls.h scope.h error.h memcpy.h string-util.h table.h mafdecls.fh typesf2c.h winutil.h winf2c.h ../include
echo "" > MACX.stamp
gcc -DMACX -DGFORTRAN -DVERIFY -DSTATS -O -c -o error.o error.c
ar rcv ../lib/MACX/libma.a error.o
a - error.o
gcc -DMACX -DGFORTRAN -DVERIFY -DSTATS -O -c -o f2c.o f2c.c
ar rcv ../lib/MACX/libma.a f2c.oa - f2c.oa - f2c.o
......
3 warnings generated.
......10 assign 30 to next
1
Warnings( in Chinese) Deleted feature: ASSIGN statement at (1)
dblas.f:1519.19:
20 go to next,(30, 50, 70, 110)
......gfortran -L/users/computation/nwchem-6.3/lib/MACX -L/users/computation/nwchem-6.3/src/tools/lib/MACX -o /users/computation/nwchem-6.3/bin/MACX/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmcscf -lselci -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lesp -lddscf -ldangchang -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lnwxc -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lcons -lperfm -ldntmc -lccca -lnwcutil -lpario -lglobal -lma -lpeigs -lperfm -lcons -lbq -lnwcutil -llapack -lblas -llapack -lblas -larmci -ltcgmsg -lm -lcc_dynamic
ld: library not found for -lcc_dynamic
collect2: ???ld ?? 1
make: *** [all] Error 1
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