| 2:59:26 AM PST - Sat, Jan 21st 2017 |
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Dear Dr. Edoapra; Forum admin,
thank you very much for your kind reply.
I have done the make & make link, based on your comments.
$ cd /home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils
make
$ cd /home/user/NWChem-6.6/nwchem-6.6/src
make link
And I get the following log. file.
Because there is no error message, I think that it is good.
However I have no confidence.
If you have any comment, please teach me.
Thank you,
Toshiharu Higuchi
Yokohama, Japan
<< log.file >>
cf. In the parenthesis, it is English transulation of the upper sentence.
user@user-desktop:~$ cd /home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils
user@user-desktop:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$ make
/home/user/NWChem-6.6/nwchem-6.6/bin/LINUX64/depend.x -I../../include -I../../../ddscf -I/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/include > dependencies
make: Warning: Archive '/home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.a' seems to have been created in deterministic mode. '!' will always be updated. Please consider passing the U flag to ar to avoid the problem.
gfortran -c -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -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 -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -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)
make: Warning: Archive '/home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.a' seems to have been created in deterministic mode. 'rt_tddft_excite.o' will always be updated. Please consider passing the U flag to ar to avoid the problem.
make[1]: ?????? '/home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils' ?????
(Into the directory '/home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils')
Got lock on /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.lock
ar r /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.a rt_tddft_excite.o
echo /home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.a
/home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64/libnwdft.a
make[1]: ?????? '/home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils' ?????
(Out of the directory '/home/user/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils')
user@user-desktop:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$
user@user-desktop:~/NWChem-6.6/nwchem-6.6/src/nwdft/rt_tddft/rtutils$ cd /
user@user-desktop:/$ cd /home/user/NWChem-6.6/nwchem-6.6/src
user@user-desktop:~/NWChem-6.6/nwchem-6.6/src$ make link
make nwchem.o stubs.o
make[1]: ?????? '/home/user/NWChem-6.6/nwchem-6.6/src' ?????
(Into the directory '/home/user/NWChem-6.6/nwchem-6.6/src')
gfortran -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/home/user/NWChem-6.6/nwchem-6.6/src/include -I/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/home/user/NWChem-6.6/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o nwchem.o nwchem.F
gfortran -m64 -ffast-math -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O -I. -I/home/user/NWChem-6.6/nwchem-6.6/src/include -I/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/home/user/NWChem-6.6/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
make[1]: ?????? '/home/user/NWChem-6.6/nwchem-6.6/src' ?????
(Out of the directory '/home/user/NWChem-6.6/nwchem-6.6/src')
gfortran -L/home/user/NWChem-6.6/nwchem-6.6/lib/LINUX64 -L/home/user/NWChem-6.6/nwchem-6.6/src/tools/install/lib -o /home/user/NWChem-6.6/nwchem-6.6/bin/LINUX64/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 -lsolvation -lnwints -lprepar -lnwmd -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop -lpfft -ldplot -ldrdy -lvscf -lqmmm -lqmd -letrans -lpspw -ltce -lbq -lmm -lcons -lperfm -ldntmc -lccca -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -l64to32 -lopenblas -lpthread -lrt -lnwclapack -lnwcblas -L/usr/lib/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lrt -lm -lpthread
user@user-desktop:~/NWChem-6.6/nwchem-6.6/src$
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