Exactly, I have done the following
BASH-3.2# export USE_MPI
BASH-3.2# export NWCHEM_MODULES=all
BASH-3.2# export OLD_GA=yes
BASH-3.2# export NWCHEM_TARGET=MACX
BASH-3.2# export NWCHEM_TOP=/users/computation/nwchem
BASH-3.2# cd /users/computation/nwchem/src
BASH-3.2# make nwchem_config
The message is as the followingconfig/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" >> nwchem_config.h
echo "EXCLUDED_SUBDIRS = develop scfaux plane_wave oimp2 rimp2_grad python argos diana uccsdt rism geninterface transport smd nbo leps" >> nwchem_config.h
echo "CONFIG_LIBS = " >> nwchem_config.h
echo \# This configuration generated automatically on \
`hostname` at `date` > NWCHEM_CONFIG
echo "# Request modules from user: all" >> NWCHEM_CONFIG
echo The following subdirectories are built: >> NWCHEM_CONFIG
echo NWints analyz atomscf bq cafe ccca ccsd cons cphf dangchang ddscf dntmc dplot drdy driver esp etrans fft gradients hessian mcscf moints mp2_grad nwdft nwmd nwpw nwxc optim perfm prepar property qhop qmd qmmm rimp2 selci space stepper symmetry tce vib vscf >> NWCHEM_CONFIG
echo corresponding to these libraries: >> NWCHEM_CONFIG
echo -lnwints -lanalyze -lguess -lbq -lcafe -lccca -lccsd
......
sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \
doneBASH-3.2# make
config/makefile.h:145: /users/computation/nwchem-6.3/src/config/nwchem_config.h: No such file or directory
/Applications/Xcode.app/Contents/Developer/usr/bin/make -C config -f make_nwchem_config NWCHEM_MODULES="all"
echo \# This configuration generated automatically on \
`hostname` at `date` > nwchem_config.h
echo "# Request modules from user: all" >> nwchem_config.h
echo "NW_MODULE_SUBDIRS = NWints atomscf ddscf gradients moints nwdft nwxc rimp2 stepper driver optim cphf ccsd vib mcscf prepar esp hessian selci dplot mp2_grad qhop property nwpw fft analyz nwmd cafe space drdy vscf qmmm qmd etrans tce bq cons perfm dntmc dangchang ccca" >> nwchem_config.h
......
sed s/STUBROUTINE/$routine/g stub.skeleton >> ../stubs.F ; \
done
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
../config/makefile.h:145: /users/computation/nwchem-6.3/src/config/nwchem_config.h: No such file or directory
make[1]: *** No rule to make target `/users/computation/nwchem-6.3/src/config/nwchem_config.h'. Stop.
make: *** [libraries] Error 1
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