Dear NWChem developers and users,
I am trying to modify the source code in order to a different type of field other than the ones that is specified in the subroutine: rt_tddft_exite.F.
When I tried to use “Make Install”, I got the following error.
Could you help?
Thank you very much.
Toshiharu Higuchi
Yokohama, Japan
user@pc:/$ cd /
user@pc:/$ cd /home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils
user@pc:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$ make
/home/user/NWChem-6.6/nwchem-6.6/bin/LINUX/depend.x -I../../include -I../../../ddscf -I/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/include > dependencies
gfortran -c -m32 -march=pentium4 -mtune=pentium4 -g -O2 -g -fno-aggressive-loop-optimizations -g -O0 -I. -I../../include -I../../../ddscf -I/home/user/NWChem-6.6/nwchem-6.6/src/include -I/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/include -DLINUX -DGFORTRAN -DGCC46 -DCHKUNDFLW -DGCC4 -DPARALLEL_DIAG -DDEBUG_PRINT rt_tddft_excite.F
rt_tddft_excite.F:81.35:
call rt_tddft_update_fields (params, tt)
1
Warning: Dummy argument 'params' with INTENT(IN) in variable definition context (actual argument to INTENT = OUT/INOUT) at (1)
Got lock on /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX/libnwdft.lock
ar r /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX/libnwdft.a rt_tddft_excite.o
ranlib /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX/libnwdft.a
user@pc:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$ sudo make install
[sudo] password for user:
You must define NWCHEM_TOP in your environment to be the path
of the top level nwchem directory ... something like
setenv NWCHEM_TOP /msrc/home/elvis/nwchem
../../../config/makefile.h:33: *** . Stop.
user@pc:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$
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