Cuda compiling

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9:49:07 AM PST - Fri, Feb 12th 2016
linux432:/MD/azat/nwchem-6.6/src/tce # make

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/MD/azat/nwchem-6.6/src/include -I/MD/azat/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DTCE_CUDA tce_input.F
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/MD/azat/nwchem-6.6/src/include -I/MD/azat/nwchem-6.6/src/tools/install/include -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DPARALLEL_DIAG -DTCE_CUDA tce_energy.F
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce'
make[1]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce'
Making all in include
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/include'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/include'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/include'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/include'
Making all in diis
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis'
Making all in diis2
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis2'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis2'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis2'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis2'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis2'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis2'
Making all in diis3
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis3'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/diis3'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis3'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/diis3'
Making all in gradients
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/gradients'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/gradients'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/gradients'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/gradients'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/gradients'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/gradients'
Making all in ccsd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd'
Making all in ccsd_lambda
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_lambda'
Making all in eomccsd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd'
Making all in ccsd_t
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_t'
Making all in cr-eomccsd_t
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr-eomccsd_t'
Making all in lrh
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lrh'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lrh'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lrh'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lrh'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lrh'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lrh'
Making all in emb
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/emb'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/emb'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/emb'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/emb'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/emb'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/emb'
Making all in response
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/response'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/response'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/response'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/response'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/response'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/response'
Making all in ccsd_yr
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_yr'
Making all in ccsd_alpha
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_alpha'
Making all in ccsd_beta
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_beta'
Making all in ccd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccd'
Making all in lccd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccd'
Making all in lccsd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/lccsd'
Making all in qcisd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/qcisd'
Making all in cc3
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cc3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cc3'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cc3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cc3'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cc3'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cc3'
Making all in mbpt1
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt1'
Making all in mbpt2
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt2'
Making all in mbpt3
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt3'
Making all in mbpt4
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/mbpt4'
Making all in cis
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cis'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cis'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cis'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cis'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cis'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cis'
Making all in cisd
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisd'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisd'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisd'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisd'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisd'
Making all in cisdt
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdt'
Making all in cisdtq
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cisdtq'
Making all in ccsdt
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt'
Making all in ccsdt_lambda
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsdt_lambda'
Making all in eomccsdt
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsdt'
Making all in ccsd_act
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/ccsd_act'
Making all in eomccsd_act
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/eomccsd_act'
Making all in cr_eomccsd_t_act
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/cr_eomccsd_t_act'
Making all in sort
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[2]: `/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a' is up to date.
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[2]: Entering directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[2]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce/sort'
make[1]: Entering directory `/MD/azat/nwchem-6.6/src/tce'
Got lock on /MD/azat/nwchem-6.6/lib/LINUX64/libtce.lock
ar r /MD/azat/nwchem-6.6/lib/LINUX64/libtce.a tce_input.o tce_energy.o
echo /MD/azat/nwchem-6.6/lib/LINUX64/libtce.a
/MD/azat/nwchem-6.6/lib/LINUX64/libtce.a
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src/tce'


linux432:/MD/azat/nwchem-6.6/src # make link

make nwchem.o stubs.o
make[1]: Entering directory `/MD/azat/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/MD/azat/nwchem-6.6/src/include -I/MD/azat/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="'/MD/azat/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/MD/azat/nwchem-6.6/src/include -I/MD/azat/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="'/MD/azat/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'" -c -o stubs.o stubs.F
make[1]: Leaving directory `/MD/azat/nwchem-6.6/src'
gfortran -L/MD/azat/nwchem-6.6/lib/LINUX64 -L/MD/azat/nwchem-6.6/src/tools/install/lib -o /MD/azat/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 -L/MD/azat/Openblas/lib -lopenblas -lpthread -lrt -lnwclapack -lnwcblas -L/usr/lib64/mpi/gcc/openmpi/lib64 -lmpi_usempi -lmpi_mpifh -lmpi -L/usr/local/cuda-6.5/lib64 -L/usr/local/cuda-6.5/lib -lcudart -lstdc++ -lrt -lm -lpthread 


Iterations converged

CCSD correlation energy / hartree =        -0.213269954064232

CCSD total energy / hartree       =       -76.240077811241036



Singles contributions



Doubles contributions

CCSD(T)

Using plain CCSD(T) code

            total no. of tasks          230

total no. of tasks / no. procs          230

                        wl_min           12           1.5

                        wl_max        13824           4.9

       thresh for no. of tasks          230



CCSD[T]  correction energy / hartree =        -0.003139909173626

CCSD[T] correlation energy / hartree =        -0.216409863237859

CCSD[T] total energy / hartree       =       -76.243217720414663

CCSD(T)  correction energy / hartree =        -0.003054718622066

CCSD(T) correlation energy / hartree =        -0.216324672686299

CCSD(T) total energy / hartree       =       -76.243132529863104

Cpu & wall time / sec            0.1            0.1



Parallel integral file used       1 records with       0 large values




Task  times  cpu:        5.7s     wall:        7.4s


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