+ INPUT=imidazole + source /users/p18005/veril/tmpdir/qp2/quantum_package.rc ++ QP_ROOT=/NOT/FOUND ++ case "$(ps -p $$ -ocomm=)" in +++ ps -p 34329 -ocomm= +++ dirname '/users/p18005/veril/tmpdir/qp2/quantum_package.rc[0]' ++ QP_ROOT=/users/p18005/veril/tmpdir/qp2 +++ cd /users/p18005/veril/tmpdir/qp2 +++ pwd -P ++ export QP_ROOT=/tmpdir/veril/qp2 ++ QP_ROOT=/tmpdir/veril/qp2 ++ WD=/users/p18005/veril/tmpdir/Ec/imidazole/cc-pvdz ++ cd /tmpdir/veril/qp2/etc ++ for SCRIPT in '*.rc' ++ source 00.qp_root.rc +++ export QP_ROOT=/tmpdir/veril/qp2 +++ QP_ROOT=/tmpdir/veril/qp2 ++ for SCRIPT in '*.rc' ++ source autocomplete.rc ++++ ps -p 34329 -ocomm= +++ [[ slurm_script == \z\s\h ]] ++ for SCRIPT in '*.rc' ++ source configure.rc +++ source /tmpdir/veril/qp2/etc/autocomplete.rc +++++ ps -p 34329 -ocomm= ++++ [[ slurm_script == \z\s\h ]] +++ complete -F _configure_Complete configure ++ for SCRIPT in '*.rc' ++ source ezfio.rc +++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio +++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio +++ source /tmpdir/veril/qp2/etc/autocomplete.rc +++++ ps -p 34329 -ocomm= ++++ [[ slurm_script == \z\s\h ]] +++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh ++ for SCRIPT in '*.rc' ++ source irpf90.rc +++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6 +++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6 +++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin +++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin +++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90 +++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90 +++ source /tmpdir/veril/qp2/etc/autocomplete.rc +++++ ps -p 34329 -ocomm= ++++ [[ slurm_script == \z\s\h ]] +++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash ++ for SCRIPT in '*.rc' ++ source libraries.rc +++ QP_LIB= ++ for SCRIPT in '*.rc' ++ source local.rc ++ for SCRIPT in '*.rc' ++ source ninja.rc +++ export NINJA=/tmpdir/veril/qp2/bin/ninja +++ NINJA=/tmpdir/veril/qp2/bin/ninja ++ for SCRIPT in '*.rc' ++ source ocaml.rc +++ [[ -z /tmpdir/veril/qp2/external/opam ]] +++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh ++ for SCRIPT in '*.rc' ++ source paths.rc +++ QP_PYTHON= +++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc +++ source ezfio.rc ++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio ++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio ++++ source /tmpdir/veril/qp2/etc/autocomplete.rc ++++++ ps -p 34329 -ocomm= +++++ [[ slurm_script == \z\s\h ]] ++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh +++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc +++ source irpf90.rc ++++ export IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6 ++++ IRPF90_PATH=/tmpdir/veril/qp2/external/irpf90-v1.7.6 ++++ export PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ++++ PATH=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ++++ export IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90 ++++ IRPF90=/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin/irpf90 ++++ source /tmpdir/veril/qp2/etc/autocomplete.rc ++++++ ps -p 34329 -ocomm= +++++ [[ slurm_script == \z\s\h ]] ++++ source_if_exists /tmpdir/veril/qp2/external/irpf90-v1.7.6/irpman-completions.bash +++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc +++ source ninja.rc ++++ export NINJA=/tmpdir/veril/qp2/bin/ninja ++++ NINJA=/tmpdir/veril/qp2/bin/ninja +++ for i in ezfio.rc irpf90.rc ninja.rc ocaml.rc +++ source ocaml.rc ++++ [[ -z /tmpdir/veril/qp2/external/opam ]] ++++ source /tmpdir/veril/qp2/external/opam/opam-init/init.sh +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python +++ export QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile +++ QP_PYTHON=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile ++++ qp_prepend_export PYTHONPATH /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile ++++ eval 'value_1=${PYTHONPATH}' +++++ value_1=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ++++ [[ -z /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ]] ++++ echo /tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: +++ export PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: +++ PYTHONPATH=/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/external/ezfio/Python::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile: ++++ qp_prepend_export PATH :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml ++++ eval 'value_1=${PATH}' +++++ value_1=/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ++++ [[ -z /tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ]] ++++ echo :/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin +++ export PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin +++ PATH=:/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/tmpdir/veril/qp2/external/opam/4.07.1/bin::/tmpdir/veril/qp2/external/ezfio/Python:/tmpdir/veril/qp2/scripts:/tmpdir/veril/qp2/scripts/ezfio_interface:/tmpdir/veril/qp2/scripts/utility:/tmpdir/veril/qp2/scripts/module:/tmpdir/veril/qp2/scripts/compilation:/tmpdir/veril/qp2/external/Python:/tmpdir/veril/qp2/external/Python/resultsFile:/tmpdir/veril/qp2/bin:/tmpdir/veril/qp2/ocaml:/tmpdir/veril/qp2/external/opam/4.07.1/bin:/usr/lpp/mmfs/bin/:/usr/lpp/mmfs/bin/:/usr/local/git/2.9.5/bin:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/bin:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/bin/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/../inspector/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../advisor/bin64:/usr/local/intel/2018.2.046/compilers_and_libraries/../vtune_amplifier/bin64/:/usr/lib64/qt4/bin:/usr/lpp/mmfs/bin/:/usr/local/bin:/usr/bin:/usr/local/sbin:/usr/sbin:/users/p18005/veril/.local/bin:/users/p18005/veril/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin:/tmpdir/veril/qp2/external/irpf90-v1.7.6/bin ++++ qp_prepend_export LD_LIBRARY_PATH /tmpdir/veril/qp2/lib ++++ eval 'value_1=${LD_LIBRARY_PATH}' +++++ value_1=/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ++++ [[ -z /tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ]] ++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib +++ export LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib +++ LD_LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib:/usr/local/lib64:/usr/local/lib ++++ qp_prepend_export LIBRARY_PATH /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64 ++++ eval 'value_1=${LIBRARY_PATH}' +++++ value_1=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ++++ [[ -z /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ]] ++++ echo /tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 +++ export LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 +++ LIBRARY_PATH=/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/tmpdir/veril/qp2/lib:/tmpdir/veril/qp2/lib64:/usr/local/git/2.9.5/lib64:/usr/local/intel/2018.2.046/impi/2018.2.199/intel64/lib:/usr/local/intel/2018.2.046/compilers_and_libraries/../mkl/lib/intel64:/usr/local/intel/2018.2.046/compilers_and_libraries/linux/lib/intel64 ++++ qp_prepend_export C_INCLUDE_PATH /tmpdir/veril/qp2/include ++++ eval 'value_1=${C_INCLUDE_PATH}' +++++ value_1=/tmpdir/veril/qp2/include: ++++ [[ -z /tmpdir/veril/qp2/include: ]] ++++ echo /tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include: +++ export C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include: +++ C_INCLUDE_PATH=/tmpdir/veril/qp2/include:/tmpdir/veril/qp2/include: ++ for SCRIPT in '*.rc' ++ source qp.rc ++++ ps -p 34329 -ocomm= +++ [[ slurm_script == \z\s\h ]] +++ source /tmpdir/veril/qp2/etc/ezfio.rc ++++ export QP_EZFIO=/tmpdir/veril/qp2/external/ezfio ++++ QP_EZFIO=/tmpdir/veril/qp2/external/ezfio ++++ source /tmpdir/veril/qp2/etc/autocomplete.rc ++++++ ps -p 34329 -ocomm= +++++ [[ slurm_script == \z\s\h ]] ++++ source_if_exists /tmpdir/veril/qp2/external/ezfio/Bash/ezfio.sh +++ complete -F _qp_Complete qp ++ cd /users/p18005/veril/tmpdir/Ec/imidazole/cc-pvdz ++ [[ -z /tmpdir/veril/qp2 ]] + set -e + ./localize.sh imidazole.ang /tmpdir/veril/qp2/data/basis/cc-pvdz imidazole Orbital localization Method : Boys_er Separation type : Sigma/pi Max number of iterations : 1000000 cc : 1e-05 epsilon : 1. charge : 0 Rotation pre angle : 0.001 Criterion max_angle norm_angle average_angle Orbital lists: Core: [1,2,3,4,5,] Occupied: [6,7,8,9,10,11,12,13,14,15,16,17,18,] Virtual: [19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79,80,81,82,83,84,85,86,87,88,89,90,] Sigma occ: [6,7,8,9,10,11,12,13,15,16,] Pi occ: [14,17,18,] Sigma vir: [21,22,23,24,25,26,27,28,29,30,32,35,36,37,40,41,44,46,49,50,51,52,53,54,56,57,59,60,61,63,64,66,68,70,72,73,75,77,78,79,80,81,82,83,84,85,86,87,88,89,90,] Pi vir: [19,20,31,33,34,38,39,42,43,45,47,48,55,58,62,65,67,69,71,74,76,] 0 23.885684 0.033826 0.004539 0.000010 1 23.885748 -0.001405 0.004082 0.000009 2 23.885770 -0.001291 0.003652 0.000008 3 23.885791 -0.001253 0.003193 0.000007 4 23.885843 -0.001220 0.002687 0.000006 5 23.885889 -0.001131 0.002159 0.000005 6 23.885906 -0.001095 0.001504 0.000003 7 23.885925 -0.000761 0.001051 0.000002 8 23.885929 -0.000560 0.000691 0.000001 9 23.885938 -0.000489 0.000003 0.000000 10 23.885938 0.000002 0.000001 0.000000 0 4.931866 0.784264 5.004990 0.005268 1 5.684130 -0.785174 4.772021 0.005023 2 7.529591 -0.785290 4.424412 0.004657 3 10.081636 0.783558 4.420696 0.004653 4 14.995532 -0.768288 3.973696 0.004183 5 17.695337 0.747746 3.791709 0.003991 6 19.627443 -0.748223 3.343547 0.003520 7 24.251501 -0.745246 3.159018 0.003325 8 26.356946 0.679954 2.972188 0.003129 9 27.625922 -0.629015 3.231696 0.003402 10 29.213948 -0.781738 3.265472 0.003437 11 31.049282 0.781402 3.296735 0.003470 12 33.139309 0.735968 2.907414 0.003060 13 34.453507 0.702920 2.815484 0.002964 14 35.011326 -0.769164 2.564205 0.002699 15 38.183693 -0.692308 2.266692 0.002386 16 41.068241 0.694411 2.220599 0.002337 17 42.882258 0.745512 2.001692 0.002107 18 43.719894 -0.575318 1.852767 0.001950 19 45.161844 -0.547737 1.737027 0.001828 20 47.578012 0.487215 1.748708 0.001841 21 48.350884 -0.636438 1.546699 0.001628 22 48.923441 0.388181 1.422430 0.001497 23 50.779812 -0.263502 1.364440 0.001436 24 51.426195 0.260052 1.328933 0.001399 25 54.200204 -0.266723 1.265572 0.001332 26 55.242896 0.228340 1.190194 0.001253 27 57.613452 0.229355 1.143099 0.001203 28 58.581658 -0.222564 1.154460 0.001215 29 58.853209 0.284931 1.077122 0.001134 30 61.012619 0.217581 1.039195 0.001094 31 61.333217 0.209217 1.020900 0.001075 32 62.187922 -0.217322 0.964433 0.001015 33 62.494330 0.200623 0.920255 0.000969 34 65.046026 -0.194200 0.864216 0.000910 35 65.742052 -0.184078 0.823052 0.000866 36 65.941510 0.185153 0.781237 0.000822 37 66.385331 0.208092 0.725897 0.000764 38 67.654908 -0.182258 0.680529 0.000716 39 68.251473 0.166777 0.636982 0.000671 40 69.149882 0.159529 0.589983 0.000621 41 70.115711 0.149782 0.543398 0.000572 42 70.358483 -0.147614 0.489301 0.000515 43 70.991583 -0.135234 0.439409 0.000463 44 71.406787 -0.107463 0.414981 0.000437 45 71.469008 -0.103331 0.382299 0.000402 46 71.608270 0.108226 0.351390 0.000370 47 71.937273 0.097441 0.325290 0.000342 48 72.676893 0.091514 0.296529 0.000312 49 72.867544 -0.072274 0.285309 0.000300 50 72.891660 -0.073316 0.268941 0.000283 51 72.951626 0.070921 0.251349 0.000265 52 73.081865 0.064205 0.233984 0.000246 53 73.207273 -0.058904 0.219517 0.000231 54 73.414629 -0.054774 0.205503 0.000216 55 73.431956 -0.051069 0.193184 0.000203 56 73.504148 0.050915 0.180635 0.000190 57 73.517123 0.041774 0.169578 0.000179 58 73.657096 0.040468 0.159415 0.000168 59 73.671959 0.037866 0.150437 0.000158 60 73.687803 0.036455 0.141207 0.000149 61 73.711797 0.030692 0.135837 0.000143 62 73.731940 0.029372 0.129525 0.000136 63 73.752438 0.029220 0.123193 0.000130 64 73.786735 -0.028063 0.116964 0.000123 65 73.808145 0.027078 0.109922 0.000116 66 73.831514 -0.026896 0.102979 0.000108 67 73.867877 -0.025018 0.096110 0.000101 68 73.871366 0.023389 0.092525 0.000097 69 73.874268 0.023926 0.086948 0.000092 70 73.887744 -0.020726 0.082283 0.000087 71 73.890837 0.020503 0.076843 0.000081 72 73.899973 -0.019830 0.072429 0.000076 73 73.903676 -0.018307 0.067578 0.000071 74 73.913094 -0.017143 0.062705 0.000066 75 73.916287 0.016926 0.057696 0.000061 76 73.919484 -0.016896 0.052353 0.000055 77 73.922196 -0.015215 0.047454 0.000050 78 73.930150 -0.014815 0.042460 0.000045 79 73.941455 0.011971 0.039034 0.000041 80 73.948289 0.011519 0.035968 0.000038 81 73.955321 -0.011089 0.032310 0.000034 82 73.959151 0.010142 0.028930 0.000030 83 73.964936 -0.010021 0.025131 0.000026 84 73.965329 -0.008958 0.022344 0.000024 85 73.965978 -0.007793 0.019467 0.000020 86 73.970822 -0.007388 0.016435 0.000017 87 73.970966 0.004750 0.015370 0.000016 88 73.971849 0.004375 0.013924 0.000015 89 73.972502 0.004178 0.012703 0.000013 90 73.972710 -0.004171 0.011228 0.000012 91 73.972814 -0.003728 0.010045 0.000011 92 73.973143 0.003609 0.008674 0.000009 93 73.973200 0.003342 0.007458 0.000008 94 73.973399 -0.002312 0.006648 0.000007 95 73.973547 -0.001854 0.006140 0.000006 96 73.973566 0.001677 0.005728 0.000006 97 73.973637 -0.001490 0.005381 0.000006 98 73.973690 0.001483 0.004910 0.000005 99 73.973698 -0.001287 0.004635 0.000005 100 73.973733 0.001043 0.004387 0.000005 101 73.973757 -0.001018 0.004116 0.000004 102 73.973779 0.000953 0.003890 0.000004 103 73.973812 -0.000947 0.003660 0.000004 104 73.973840 0.000882 0.003463 0.000004 105 73.973859 0.000830 0.003248 0.000003 106 73.973885 -0.000824 0.003009 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0.000121 1827 578.576909 -0.027796 0.585626 0.000121 1828 578.599673 0.027589 0.584706 0.000121 1829 578.614073 0.028075 0.583544 0.000120 1830 578.644398 0.027587 0.582500 0.000120 1831 578.671859 -0.027803 0.581511 0.000120 1832 578.701622 0.028504 0.580703 0.000120 1833 578.706348 0.027771 0.579878 0.000120 1834 578.708981 -0.028035 0.578769 0.000119 1835 578.723683 -0.027529 0.577292 0.000119 1836 578.828030 -0.027447 0.576026 0.000119 1837 578.857899 -0.027413 0.575029 0.000119 1838 578.861382 -0.027340 0.574497 0.000119 1839 578.870763 0.028280 0.573344 0.000118 1840 578.889210 0.027706 0.572338 0.000118 1841 578.917229 0.027306 0.572046 0.000118 1842 578.917421 -0.030671 0.570563 0.000118 1843 578.958774 0.027083 0.569103 0.000117 1844 578.959261 -0.030888 0.567348 0.000117 1845 578.962413 -0.026997 0.566649 0.000117 1846 579.045630 0.026905 0.565420 0.000117 1847 579.088396 0.026855 0.564018 0.000116 1848 579.153243 -0.026849 0.563159 0.000116 1849 579.173513 0.026808 0.562285 0.000116 1850 579.224197 -0.026787 0.561526 0.000116 1851 579.227288 0.027787 0.560663 0.000116 1852 579.297752 -0.026743 0.559551 0.000115 1853 579.313511 -0.026613 0.558831 0.000115 1854 579.329231 0.026459 0.557583 0.000115 1855 579.339891 -0.026358 0.556379 0.000115 1856 579.347088 -0.026263 0.555783 0.000115 1857 579.364552 0.026909 0.555863 0.000115 1858 579.366428 0.026862 0.554227 0.000114 1859 579.393504 0.026193 0.553083 0.000114 1860 579.432658 0.026045 0.551832 0.000114 1861 579.452535 0.026034 0.550355 0.000114 1862 579.453572 -0.025992 0.550059 0.000114 1863 579.466943 0.025976 0.549704 0.000113 1864 579.487628 -0.025840 0.548537 0.000113 1865 579.505184 0.025665 0.548195 0.000113 1866 579.517791 0.025659 0.547272 0.000113 1867 579.525174 0.025600 0.545743 0.000113 1868 579.548553 -0.025540 0.544492 0.000112 1869 579.616118 -0.025521 0.544582 0.000112 1870 579.616222 0.028035 0.543304 0.000112 1871 579.659079 0.025514 0.542107 0.000112 1872 579.659307 -0.026103 0.540861 0.000112 1873 579.749487 -0.025514 0.539914 0.000111 1874 579.787993 -0.025484 0.537975 0.000111 1875 579.804257 0.025266 0.536864 0.000111 1876 579.901597 -0.025149 0.535861 0.000111 1877 579.993572 -0.025905 0.534279 0.000110 1878 580.076925 0.025053 0.535325 0.000110 1879 580.077103 0.043718 0.531397 0.000110 1880 580.086147 0.025146 0.531318 0.000110 1881 580.093618 -0.025031 0.530010 0.000109 1882 580.115261 0.024858 0.529001 0.000109 1883 580.118870 -0.024800 0.528726 0.000109 1884 580.118994 0.026816 0.527505 0.000109 1885 580.200176 -0.024619 0.526073 0.000109 1886 580.235193 0.024607 0.524590 0.000108 1887 580.261330 0.024585 0.523388 0.000108 1888 580.309802 -0.024726 0.522438 0.000108 1889 580.320248 0.024585 0.522151 0.000108 1890 580.344389 0.024505 0.521563 0.000108 1891 580.344508 0.024467 0.520461 0.000107 1892 580.356568 0.024449 0.519625 0.000107 1893 580.372015 -0.024447 0.518389 0.000107 1894 580.388576 -0.024365 0.517565 0.000107 1895 580.389042 -0.024825 0.516357 0.000107 1896 580.454724 -0.024331 0.514367 0.000106 1897 580.476864 -0.024223 0.513162 0.000106 1898 580.481969 0.024266 0.512508 0.000106 1899 580.482938 0.024117 0.513094 0.000106 1900 580.483043 -0.033441 0.510859 0.000105 1901 580.489587 0.024431 0.509780 0.000105 1902 580.501459 0.024058 0.509014 0.000105 1903 580.554789 0.024029 0.508005 0.000105 1904 580.569090 -0.023966 0.506793 0.000105 1905 580.591057 -0.023924 0.506126 0.000104 1906 580.613061 0.023922 0.505254 0.000104 1907 580.642601 -0.023942 0.504297 0.000104 1908 580.653483 -0.023918 0.503262 0.000104 1909 580.676278 0.023914 0.502133 0.000104 1910 580.676345 -0.025222 0.501018 0.000103 1911 580.680844 -0.023864 0.502157 0.000104 1912 580.680979 0.033451 0.499825 0.000103 1913 580.755821 0.023814 0.498025 0.000103 1914 580.771857 -0.023761 0.497281 0.000103 1915 580.796728 -0.023697 0.496758 0.000103 1916 580.796871 0.023694 0.495891 0.000102 1917 580.796912 -0.023573 0.494742 0.000102 1918 580.801391 -0.023568 0.493845 0.000102 1919 580.830782 -0.023543 0.493714 0.000102 1920 580.830835 0.024004 0.492614 0.000102 1921 580.856931 -0.023489 0.491010 0.000101 1922 580.864441 -0.023731 0.489312 0.000101 1923 580.895082 0.023388 0.488512 0.000101 1924 580.907519 -0.023368 0.487418 0.000101 1925 580.968182 0.023256 0.486755 0.000100 1926 580.975712 -0.023025 0.485704 0.000100 1927 580.980501 0.022960 0.485027 0.000100 1928 580.984907 0.023383 0.484010 0.000100 1929 580.985818 -0.025546 0.483046 0.000100 1930 580.987711 -0.022959 0.482087 0.000100 1931 581.028520 0.022878 0.481436 0.000099 1932 581.059661 0.022853 0.480581 0.000099 1933 581.066706 -0.023530 0.479429 0.000099 1934 581.111726 0.022753 0.477889 0.000099 1935 581.160622 -0.022737 0.477438 0.000099 1936 581.193730 -0.022672 0.476364 0.000098 1937 581.195397 -0.022601 0.477453 0.000099 1938 581.195565 -0.032389 0.475295 0.000098 1939 581.204227 0.023268 0.474877 0.000098 1940 581.205290 0.022577 0.474363 0.000098 1941 581.206380 0.022930 0.473410 0.000098 1942 581.219768 -0.022424 0.473089 0.000098 1943 581.241602 0.022363 0.471842 0.000097 1944 581.246412 0.022343 0.471696 0.000097 1945 581.248621 0.022341 0.471277 0.000097 1946 581.253342 0.022281 0.470743 0.000097 1947 581.253491 0.027284 0.469185 0.000097 1948 581.271946 -0.022373 0.468331 0.000097 1949 581.328685 -0.022163 0.467572 0.000097 1950 581.345930 0.022149 0.466330 0.000096 1951 581.363596 -0.022118 0.466952 0.000096 1952 581.363745 0.034905 0.464663 0.000096 1953 581.372868 0.022170 0.463690 0.000096 1954 581.414640 -0.022080 0.462569 0.000095 1955 581.429815 0.022073 0.462071 0.000095 1956 581.444022 -0.022083 0.460496 0.000095 1957 581.455880 -0.022028 0.460384 0.000095 1958 581.488278 -0.021921 0.459723 0.000095 1959 581.488325 0.024554 0.458339 0.000095 1960 581.508101 -0.021780 0.457460 0.000094 1961 581.509858 -0.021748 0.456148 0.000094 1962 581.532543 -0.021639 0.455398 0.000094 1963 581.556039 0.021635 0.455843 0.000094 1964 581.556157 0.031161 0.453678 0.000094 1965 581.590843 -0.021580 0.452572 0.000093 1966 581.605546 0.021567 0.451705 0.000093 1967 581.624030 -0.021564 0.450599 0.000093 1968 581.657367 0.021483 0.449499 0.000093 1969 581.678032 0.021481 0.448570 0.000093 1970 581.723900 0.021386 0.447400 0.000092 1971 581.759758 -0.021382 0.446072 0.000092 1972 581.770232 0.021273 0.445117 0.000092 1973 581.788829 0.021358 0.443847 0.000092 1974 581.816531 0.021342 0.442977 0.000091 1975 581.818711 -0.021227 0.442133 0.000091 1976 581.840180 -0.021200 0.441546 0.000091 1977 581.852878 -0.021103 0.440677 0.000091 1978 581.858749 -0.021104 0.439763 0.000091 1979 581.886459 0.021044 0.438427 0.000090 1980 581.887346 -0.020974 0.437937 0.000090 1981 581.902453 0.020928 0.436934 0.000090 1982 581.903779 0.021004 0.438690 0.000091 1983 581.903930 0.032652 0.436392 0.000090 1984 581.918960 0.020866 0.435297 0.000090 1985 581.952242 0.020818 0.434499 0.000090 1986 582.003188 0.020777 0.433868 0.000090 1987 582.029151 -0.020754 0.433044 0.000089 1988 582.036890 0.020681 0.431699 0.000089 1989 582.066097 -0.020944 0.430797 0.000089 1990 582.089742 -0.020656 0.430009 0.000089 1991 582.090518 0.021405 0.429314 0.000089 1992 582.111861 0.020648 0.428309 0.000088 1993 582.126074 -0.020542 0.427428 0.000088 1994 582.135416 -0.020521 0.426950 0.000088 1995 582.197710 -0.020464 0.426360 0.000088 1996 582.199048 -0.020626 0.431962 0.000089 1997 582.199421 -0.053443 0.425398 0.000088 1998 582.207161 0.020439 0.424235 0.000088 1999 582.253321 0.020427 0.423408 0.000087 2000 582.295792 -0.020606 0.422488 0.000087 2001 582.298032 -0.020197 0.421751 0.000087 2002 582.299305 -0.020179 0.420626 0.000087 2003 582.325978 -0.020106 0.419836 0.000087 2004 582.333830 0.020206 0.418977 0.000086 2005 582.349760 -0.020029 0.418352 0.000086 2006 582.371786 -0.020221 0.417331 0.000086 2007 582.376137 0.020315 0.416163 0.000086 2008 582.376728 -0.020412 0.415295 0.000086 2009 582.387892 -0.020213 0.414304 0.000086 2010 582.410138 -0.019965 0.413171 0.000085 2011 582.411413 0.019878 0.412472 0.000085 2012 582.415342 -0.019982 0.411708 0.000085 2013 582.479010 0.019765 0.410792 0.000085 2014 582.502170 0.019766 0.409813 0.000085 2015 582.558790 0.019765 0.410054 0.000085 2016 582.558846 0.021077 0.409063 0.000084 2017 582.599678 -0.019745 0.408045 0.000084 2018 582.615344 -0.019713 0.406875 0.000084 2019 582.617246 -0.021065 0.405680 0.000084 2020 582.618328 -0.019640 0.404754 0.000084 2021 582.633676 0.019571 0.403771 0.000083 2022 582.647953 -0.019486 0.402731 0.000083 2023 582.659833 -0.019548 0.401932 0.000083 2024 582.674731 0.019434 0.401470 0.000083 2025 582.683171 0.019431 0.400516 0.000083 2026 582.723456 0.019424 0.399722 0.000083 2027 582.724028 -0.019350 0.398749 0.000082 2028 582.774380 -0.019346 0.397816 0.000082 2029 582.781988 0.019323 0.396937 0.000082 2030 582.782622 -0.020222 0.396593 0.000082 2031 582.804565 -0.019281 0.395626 0.000082 2032 582.805554 0.019213 0.393776 0.000081 2033 582.809341 0.019195 0.392892 0.000081 2034 582.823553 -0.019160 0.392130 0.000081 2035 582.825714 -0.019044 0.391476 0.000081 2036 582.845347 0.018982 0.390569 0.000081 2037 582.857184 0.018980 0.389626 0.000080 2038 582.869650 -0.018976 0.388548 0.000080 2039 582.919825 0.018916 0.387628 0.000080 2040 582.942115 0.018833 0.387106 0.000080 2041 582.947693 0.018782 0.386148 0.000080 2042 582.948274 -0.018849 0.385270 0.000080 2043 582.967707 -0.018739 0.384449 0.000079 2044 582.995133 -0.018989 0.383664 0.000079 2045 583.002047 0.018734 0.383376 0.000079 2046 583.019369 -0.019027 0.382415 0.000079 2047 583.045774 0.018710 0.381272 0.000079 2048 583.055006 -0.018706 0.380727 0.000079 2049 583.074359 0.018590 0.380020 0.000078 2050 583.083155 -0.018524 0.378971 0.000078 2051 583.083846 0.018506 0.378478 0.000078 2052 583.104567 0.018414 0.377353 0.000078 2053 583.105731 0.018405 0.376386 0.000078 2054 583.121943 -0.018354 0.375258 0.000077 2055 583.126496 0.018349 0.374190 0.000077 2056 583.147700 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583.497110 0.017403 0.355722 0.000073 2080 583.504126 -0.017392 0.355214 0.000073 2081 583.515398 -0.017373 0.354174 0.000073 2082 583.531080 -0.017460 0.353258 0.000073 2083 583.537639 0.017290 0.352744 0.000073 2084 583.569808 -0.017257 0.352635 0.000073 2085 583.569853 0.022090 0.351257 0.000072 2086 583.580047 -0.017209 0.350531 0.000072 2087 583.600284 0.017191 0.349775 0.000072 2088 583.605814 0.017369 0.349036 0.000072 2089 583.627441 0.017153 0.348191 0.000072 2090 583.633825 0.017123 0.347262 0.000072 2091 583.649370 -0.017122 0.346379 0.000071 2092 583.656719 0.017093 0.345606 0.000071 2093 583.668815 -0.017211 0.344682 0.000071 2094 583.684449 0.017029 0.344331 0.000071 2095 583.685614 -0.016977 0.343384 0.000071 2096 583.687201 0.016891 0.342867 0.000071 2097 583.687669 -0.017500 0.342289 0.000071 2098 583.741199 -0.016757 0.341160 0.000070 2099 583.749644 -0.016735 0.340284 0.000070 2100 583.754008 0.016728 0.339373 0.000070 2101 583.754038 0.017398 0.338537 0.000070 2102 583.757655 -0.017213 0.337988 0.000070 2103 583.781827 0.016688 0.336995 0.000070 2104 583.809834 0.016637 0.336156 0.000069 2105 583.851578 0.016627 0.335410 0.000069 2106 583.855224 -0.016538 0.334923 0.000069 2107 583.884200 -0.016506 0.334124 0.000069 2108 583.926759 0.016409 0.333403 0.000069 2109 583.934251 -0.016359 0.332894 0.000069 2110 583.937190 0.016349 0.332080 0.000069 2111 583.939932 -0.016204 0.331619 0.000068 2112 583.946156 0.016208 0.330838 0.000068 2113 583.951361 -0.016174 0.330031 0.000068 2114 583.965031 -0.016146 0.329239 0.000068 2115 583.967430 -0.016107 0.328578 0.000068 2116 583.967474 0.015973 0.328118 0.000068 2117 583.968347 -0.018279 0.331242 0.000068 2118 583.968574 0.034998 0.327921 0.000068 2119 583.969126 0.017857 0.328473 0.000068 2120 583.969198 -0.021066 0.327361 0.000068 2121 583.998823 -0.016428 0.326576 0.000067 2122 584.000593 0.016007 0.325788 0.000067 2123 584.017892 0.015939 0.324909 0.000067 2124 584.049640 0.015943 0.324214 0.000067 2125 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0.000200 0.000000 5656 586.169088 0.000011 0.000200 0.000000 5657 586.169088 -0.000010 0.000199 0.000000 5658 586.169088 0.000010 0.000199 0.000000 5659 586.169088 0.000010 0.000198 0.000000 5660 586.169088 0.000010 0.000198 0.000000 5661 586.169088 0.000010 0.000197 0.000000 5662 586.169088 0.000010 0.000197 0.000000 5663 586.169088 0.000010 0.000197 0.000000 5664 586.169088 0.000010 0.000198 0.000000 5665 586.169088 -0.000015 0.000197 0.000000 5666 586.169088 0.000011 0.000198 0.000000 5667 586.169088 0.000018 0.000197 0.000000 5668 586.169088 0.000010 0.000196 0.000000 5669 586.169088 -0.000010 0.000196 0.000000 5670 586.169088 0.000010 0.000195 0.000000 Number of molecular orbitals : 90 Number of pi orbitals : 24 Number of occupied pi orbitals : 3 Number of virtual pi orbitals : 21 Number of sigma orbitals : 66 Number of occupied sigma orbitals : 10 Number of virtual sigma orbitals : 51 All MOs before the localization Average : 11.1933436384; Median : 10.0915099179; Variance : 36.2875829954; Standard deviation : 6.02391757874 All MOs after the localization Average : 3.52215650367; Median : 2.30821538279; Variance : 5.82652482925; Standard deviation : 2.41381955192 Distribution of the spatial extent, before localization / sorting before localization / after localization / sorting after localization = -- 1 -- -- 2 -- -- 3 -- -- 4 -- 1 0.0704676 0.0704105 0.0704675 0.0704105 2 0.0704105 0.0704676 0.0704105 0.0704675 3 0.0976435 0.0976435 0.0976382 0.0976382 4 0.105622 0.105622 0.097663 0.0976546 5 0.105641 0.105641 0.0976546 0.097663 6 6.18051 5.4992 1.88336 1.4022 7 8.49786 5.68659 2.20459 1.4494 8 9.78982 6.0451 1.81217 1.46225 9 12.5905 6.06929 2.17301 1.482 10 12.1443 6.18051 2.21747 1.56166 11 9.23284 6.20978 1.83792 1.56978 12 9.12037 6.70189 1.78049 1.58695 13 7.90902 6.91325 1.95091 1.59615 14 6.06929 7.30827 2.0206 1.60089 15 7.59034 7.54092 2.21195 1.62639 16 8.08978 7.59034 4.05984 1.62776 17 7.30827 7.59089 4.92835 1.63411 18 8.55341 7.60585 6.02089 1.78049 19 7.60585 7.90902 8.78711 1.81217 20 6.91325 7.92131 3.45227 1.83792 21 6.20978 7.95517 5.52123 1.84565 22 5.4992 8.01432 2.34449 1.85394 23 5.68659 8.08978 8.49898 1.86417 24 6.0451 8.24277 3.39249 1.87828 25 10.4601 8.25348 1.87828 1.88336 26 7.54092 8.34061 3.29707 1.93607 27 11.4943 8.44269 2.23684 1.95091 28 9.00893 8.49786 3.54251 1.96139 29 8.34061 8.53334 4.78539 2.0206 30 7.95517 8.55341 2.27194 2.0942 31 6.70189 8.66699 2.25176 2.09663 32 9.40539 8.72746 4.40009 2.10344 33 8.53334 9.00893 5.44888 2.11342 34 8.24277 9.04851 3.26701 2.1376 35 10.3856 9.068 8.51768 2.14442 36 8.66699 9.12037 1.84565 2.17301 37 9.52702 9.23284 1.85394 2.18746 38 7.59089 9.32902 1.86417 2.19014 39 7.92131 9.40539 3.46786 2.20459 40 11.3209 9.49315 4.11161 2.20664 41 9.04851 9.52702 3.33877 2.21195 42 8.44269 9.78745 2.10344 2.21747 43 8.25348 9.78982 1.93607 2.23684 44 8.01432 9.83435 2.20664 2.25176 45 10.8415 10.0328 8.70495 2.27194 46 9.068 10.1502 1.46225 2.34449 47 11.7147 10.2113 1.482 2.88296 48 9.78745 10.3439 1.63411 2.91633 49 9.49315 10.3856 2.1376 2.92387 50 12.0033 10.4172 2.91633 2.9264 51 10.2113 10.4601 1.56166 2.95441 52 11.4954 10.5208 2.11342 2.97846 53 11.8579 10.8415 1.4494 3.26701 54 9.32902 10.872 2.19014 3.29707 55 8.72746 11.0257 6.759 3.33877 56 11.2589 11.2589 2.09663 3.39249 57 10.5208 11.3209 1.62776 3.45227 58 10.0328 11.4943 2.92387 3.46786 59 12.7232 11.4954 4.28843 3.54251 60 10.4172 11.7147 6.73971 4.05984 61 13.5087 11.8579 6.71969 4.11161 62 13.3089 12.0033 1.96139 4.15328 63 10.1502 12.1443 2.88296 4.28843 64 11.0257 12.3924 6.68541 4.32191 65 10.872 12.4505 2.9264 4.39983 66 12.6155 12.5905 2.95441 4.40009 67 13.2096 12.6155 5.20231 4.48904 68 13.6182 12.7232 1.4022 4.68818 69 10.3439 13.2096 1.60089 4.78539 70 13.7037 13.3089 10.6403 4.92835 71 9.83435 13.5087 6.61649 5.20231 72 12.3924 13.6065 4.15328 5.44888 73 16.9437 13.6182 2.14442 5.52123 74 15.2971 13.6664 1.62639 6.02089 75 13.6065 13.7037 1.56978 6.61649 76 13.6664 14.3822 4.48904 6.68541 77 17.2906 14.7395 6.74157 6.71969 78 18.3305 15.2971 1.58695 6.73971 79 12.4505 16.9437 4.39983 6.74157 80 14.3822 17.2906 1.59615 6.759 81 14.7395 18.3305 2.97846 8.03187 82 20.7175 20.7175 8.25196 8.04818 83 22.6601 20.7505 2.18746 8.06752 84 20.7505 22.169 4.32191 8.17971 85 22.169 22.6601 8.03187 8.25196 86 34.5234 24.951 8.06752 8.49898 87 27.1576 27.1576 4.68818 8.51768 88 24.951 27.6128 8.17971 8.70495 89 27.7461 27.7461 8.04818 8.78711 90 27.6128 34.5234 2.0942 10.6403 Occupied orbitals : Number of molecular orbitals : 13 Occupied orbitals before localization Average : 8.69817427521; Median : 8.4978559056; Variance : 3.84536790215; Standard deviation : 1.96096096395 Occupied orbitals after localization Average : 2.70011856016; Median : 2.17301133782; Variance : 1.90864745233; Standard deviation : 1.38153807488 Core orbitals : Number of molecular orbitals : 5 Core orbitalses before localization : Average : 9.84059223039; Median : 9.78982040165; Variance : 7.0176647287; Standard deviation : 2.64908752756 Core orbitals after localization : Average : 2.05811839211; Median : 2.17301133782; Variance : 0.037769523586; Standard deviation : 0.194343828268 Valence orbitals : Number of molecular orbitals : 8 Valence orbitals before localization : Average : 7.98416305321; Median : 7.99939521743; Variance : 1.06709511263; Standard deviation : 1.03300295867 Valence rbitals after localization : Average : 3.10136866518; Median : 2.11627202823; Variance : 2.77197958293; Standard deviation : 1.66492629955 Virtual orbitals : Number of molecular orbitals : 77 Virtual orbitals before localization : Average : 11.6146059985; Median : 10.4171753404; Variance : 40.6427577322; Standard deviation : 6.37516727092 Virtual orbitals after localization : Average : 3.66094213049; Median : 2.9238708588; Variance : 6.38669876001; Standard deviation : 2.52719187242 + qp set_file imidazole.localized + case $1 in + [[ -d imidazole.localized ]] + ezfio set_file imidazole.localized + case $1 in + shift + _ezfio_set_file imidazole.localized + _require_first_argument imidazole.localized + [[ -z imidazole.localized ]] + return 0 + [[ ! -d imidazole.localized ]] + export EZFIO_FILE=imidazole.localized + EZFIO_FILE=imidazole.localized + _ezfio_info 'Set file imidazole.localized' + : + return 0 + qp set determinants n_states 1 + case $1 in + ezfio set determinants n_states 1 + case $1 in + shift + _ezfio_set determinants n_states 1 + _require_ezfio_file + [[ -z imidazole.localized ]] + [[ ! -d imidazole.localized ]] + _require_first_argument determinants n_states 1 + [[ -z determinants ]] + return 0 + _require_second_argument determinants n_states 1 + [[ -z n_states ]] + [[ -z 1 ]] + echo 1 + _ezfio_py set determinants n_states + python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_states + return 0 + qp set determinants read_wf False + case $1 in + ezfio set determinants read_wf False + case $1 in + shift + _ezfio_set determinants read_wf False + _require_ezfio_file + [[ -z imidazole.localized ]] + [[ ! -d imidazole.localized ]] + _require_first_argument determinants read_wf False + [[ -z determinants ]] + return 0 + _require_second_argument determinants read_wf False + [[ -z read_wf ]] + [[ -z False ]] + echo False + _ezfio_py set determinants read_wf + python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants read_wf + return 0 + qp set determinants s2_eig False + case $1 in + ezfio set determinants s2_eig False + case $1 in + shift + _ezfio_set determinants s2_eig False + _require_ezfio_file + [[ -z imidazole.localized ]] + [[ ! -d imidazole.localized ]] + _require_first_argument determinants s2_eig False + [[ -z determinants ]] + return 0 + _require_second_argument determinants s2_eig False + [[ -z s2_eig ]] + [[ -z False ]] + echo False + _ezfio_py set determinants s2_eig + python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants s2_eig + return 0 + qp set determinants n_det_max 1e8 + case $1 in + ezfio set determinants n_det_max 1e8 + case $1 in + shift + _ezfio_set determinants n_det_max 1e8 + _require_ezfio_file + [[ -z imidazole.localized ]] + [[ ! -d imidazole.localized ]] + _require_first_argument determinants n_det_max 1e8 + [[ -z determinants ]] + return 0 + _require_second_argument determinants n_det_max 1e8 + [[ -z n_det_max ]] + [[ -z 1e8 ]] + echo 1e8 + _ezfio_py set determinants n_det_max + python2 /tmpdir/veril/qp2/external/ezfio/Python/ezfio.py set determinants n_det_max + return 0 + qp run fci + case $1 in + which qp_run + [[ 0 -eq 0 ]] + COMMAND='qp_$@' + eval 'qp_$@' imidazole.localized ++ qp_run fci imidazole.localized 0.02 % in 1 seconds 50.00 % in 8 seconds 16.67 % in 8 seconds 9.09 % in 6 seconds 4.76 % in 6 seconds 2.44 % in 6 seconds 1.23 % in 7 seconds 0.62 % in 7 seconds 0.31 % in 10 seconds 0.16 % in 7 seconds 0.08 % in 7 seconds 0.04 % in 6 seconds 0.02 % in 7 seconds 0.01 % in 6 seconds 15.23 % in 16 seconds 0.00 % in 6 seconds 6.81 % in 16 seconds 13.43 % in 26 seconds 0.00 % in 6 seconds 3.13 % in 16 seconds 6.88 % in 26 seconds 10.44 % in 36 seconds 0.00 % in 6 seconds 1.47 % in 16 seconds 3.33 % in 26 seconds 5.07 % in 36 seconds 6.81 % in 46 seconds 8.52 % in 56 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 10 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 16.67 % in 7 seconds 0.00 % in 7 seconds 0.68 % in 17 seconds 1.70 % in 27 seconds 2.62 % in 37 seconds 3.46 % in 47 seconds 4.22 % in 57 seconds 4.97 % in 67 seconds 5.78 % in 77 seconds 6.52 % in 87 seconds 7.24 % in 97 seconds 7.89 % in 107 seconds 8.55 % in 117 seconds 9.20 % in 127 seconds 10.00 % in 6 seconds 10.00 % in 6 seconds 10.00 % in 6 seconds 10.00 % in 6 seconds 10.00 % in 6 seconds 10.00 % in 7 seconds 10.00 % in 10 seconds 10.00 % in 7 seconds 10.00 % in 7 seconds 10.00 % in 7 seconds 10.00 % in 7 seconds 10.00 % in 7 seconds 0.00 % in 8 seconds 0.24 % in 18 seconds 0.68 % in 28 seconds 1.23 % in 38 seconds 1.76 % in 48 seconds 2.22 % in 58 seconds 2.66 % in 68 seconds 2.98 % in 78 seconds 3.27 % in 88 seconds 3.77 % in 98 seconds 4.05 % in 108 seconds 4.51 % in 118 seconds 4.79 % in 128 seconds 5.12 % in 138 seconds 5.40 % in 148 seconds 5.68 % in 158 seconds 6.00 % in 168 seconds 6.25 % in 178 seconds 6.50 % in 188 seconds 6.77 % in 198 seconds 6.99 % in 208 seconds 7.32 % in 218 seconds 7.50 % in 228 seconds 7.79 % in 238 seconds 8.06 % in 248 seconds 8.28 % in 258 seconds 8.53 % in 268 seconds 8.82 % in 278 seconds 8.96 % in 288 seconds 9.02 % in 301 seconds 5.56 % in 8 seconds 72.22 % in 18 seconds 5.56 % in 7 seconds 61.11 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 61.11 % in 17 seconds 5.56 % in 7 seconds 72.22 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 66.67 % in 17 seconds 5.56 % in 7 seconds 61.11 % in 17 seconds 0.00 % in 9 seconds 0.07 % in 20 seconds 0.30 % in 33 seconds 0.62 % in 46 seconds 1.02 % in 56 seconds 1.17 % in 66 seconds 1.46 % in 76 seconds 1.60 % in 86 seconds 1.90 % in 96 seconds 2.07 % in 106 seconds 2.34 % in 116 seconds 2.54 % in 126 seconds 2.72 % in 136 seconds 2.88 % in 146 seconds 3.01 % in 156 seconds 3.21 % in 166 seconds 3.40 % in 177 seconds 3.55 % in 187 seconds 3.69 % in 197 seconds 3.86 % in 207 seconds 4.05 % in 217 seconds 4.27 % in 227 seconds 4.43 % in 237 seconds 4.58 % in 247 seconds 4.66 % in 257 seconds 4.80 % in 267 seconds 4.92 % in 277 seconds 5.16 % in 287 seconds 5.29 % in 297 seconds 5.39 % in 307 seconds 5.48 % in 317 seconds 5.60 % in 327 seconds 5.77 % in 337 seconds 5.88 % in 347 seconds 5.99 % in 357 seconds 6.12 % in 367 seconds 6.21 % in 377 seconds 6.30 % in 387 seconds 6.41 % in 397 seconds 6.52 % in 407 seconds 6.64 % in 417 seconds 6.75 % in 427 seconds 6.87 % in 437 seconds 6.98 % in 448 seconds 7.10 % in 458 seconds 7.19 % in 468 seconds 7.30 % in 478 seconds 7.41 % in 488 seconds 7.52 % in 498 seconds 7.61 % in 508 seconds 7.73 % in 518 seconds 7.82 % in 528 seconds 7.94 % in 538 seconds 8.07 % in 548 seconds 8.15 % in 558 seconds 8.24 % in 568 seconds 8.36 % in 578 seconds 8.47 % in 588 seconds 8.55 % in 599 seconds 8.57 % in 610 seconds 8.59 % in 621 seconds 8.61 % in 632 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 7 seconds 14.71 % in 18 seconds 44.12 % in 28 seconds 82.35 % in 38 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 7 seconds 14.71 % in 18 seconds 47.06 % in 28 seconds 85.29 % in 38 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 7 seconds 14.71 % in 18 seconds 44.12 % in 28 seconds 82.35 % in 38 seconds 2.94 % in 7 seconds 14.71 % in 18 seconds 44.12 % in 28 seconds 85.29 % in 38 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 2.94 % in 8 seconds 14.71 % in 19 seconds 47.06 % in 29 seconds 85.29 % in 39 seconds 0.00 % in 12 seconds 0.03 % in 22 seconds 0.08 % in 32 seconds 0.15 % in 42 seconds 0.31 % in 52 seconds 0.32 % in 63 seconds 0.59 % in 73 seconds 0.63 % in 91 seconds 0.88 % in 101 seconds 1.05 % in 124 seconds 1.21 % in 134 seconds 1.43 % in 144 seconds 1.46 % in 154 seconds 1.52 % in 164 seconds 1.71 % in 174 seconds 1.82 % in 184 seconds 1.85 % in 196 seconds 1.97 % in 206 seconds 2.17 % in 216 seconds 2.23 % in 227 seconds 2.28 % in 237 seconds 2.44 % in 247 seconds 2.52 % in 259 seconds 2.59 % in 269 seconds 2.67 % in 280 seconds 2.78 % in 292 seconds 2.85 % in 302 seconds 2.95 % in 316 seconds 3.00 % in 326 seconds 3.07 % in 336 seconds 3.16 % in 346 seconds 3.26 % in 356 seconds 3.34 % in 367 seconds 3.43 % in 377 seconds 3.49 % in 387 seconds 3.54 % in 397 seconds 3.65 % in 408 seconds 3.74 % in 418 seconds 3.80 % in 428 seconds 3.87 % in 438 seconds 3.98 % in 448 seconds 4.04 % in 461 seconds 4.10 % in 472 seconds 4.19 % in 482 seconds 4.26 % in 492 seconds 4.31 % in 502 seconds 4.37 % in 512 seconds 4.45 % in 523 seconds 4.49 % in 533 seconds 4.56 % in 543 seconds 4.61 % in 553 seconds 4.70 % in 564 seconds 4.75 % in 574 seconds 4.82 % in 586 seconds 4.88 % in 596 seconds 4.94 % in 606 seconds 4.99 % in 616 seconds 5.06 % in 626 seconds 5.08 % in 636 seconds 5.12 % in 646 seconds 5.17 % in 656 seconds 5.22 % in 666 seconds 5.27 % in 677 seconds 5.33 % in 687 seconds 5.37 % in 697 seconds 5.42 % in 707 seconds 5.46 % in 717 seconds 5.50 % in 727 seconds 5.55 % in 737 seconds 5.60 % in 747 seconds 5.64 % in 758 seconds 5.68 % in 769 seconds 5.72 % in 779 seconds 5.76 % in 789 seconds 5.81 % in 799 seconds 5.85 % in 809 seconds 5.90 % in 819 seconds 5.93 % in 829 seconds 5.96 % in 839 seconds 6.00 % in 849 seconds 6.05 % in 859 seconds 6.09 % in 869 seconds 6.11 % in 879 seconds 6.16 % in 889 seconds 6.21 % in 899 seconds 6.24 % in 909 seconds 6.28 % in 919 seconds 6.31 % in 929 seconds 6.36 % in 939 seconds 6.40 % in 949 seconds 6.43 % in 959 seconds 6.45 % in 969 seconds 6.52 % in 980 seconds 6.57 % in 990 seconds 6.58 % in 1000 seconds 6.59 % in 1010 seconds 6.60 % in 1038 seconds 1.49 % in 8 seconds 8.96 % in 23 seconds 11.94 % in 34 seconds 22.39 % in 44 seconds 34.33 % in 54 seconds 49.25 % in 64 seconds 62.69 % in 74 seconds 79.10 % in 84 seconds 95.52 % in 94 seconds 1.49 % in 8 seconds 7.46 % in 18 seconds 10.45 % in 30 seconds 17.91 % in 41 seconds 29.85 % in 51 seconds 43.28 % in 61 seconds 58.21 % in 71 seconds 73.13 % in 81 seconds