/dports/science/cp2k-data/cp2k-7.1.0/tools/toolchain/scripts/ |
H A D | generate_arch_files.sh | 192 [ "$ENABLE_OMP" = __TRUE__ ] && \ 199 [ "$ENABLE_OMP" = __TRUE__ ] && \ 202 [ "$ENABLE_OMP" = __TRUE__ ] && \ 206 [ "$ENABLE_OMP" = __TRUE__ ] && \ 209 [ "$ENABLE_OMP" = __TRUE__ ] && \ 211 [ "$ENABLE_OMP" = __TRUE__ ] && \ 214 [ "$ENABLE_OMP" = __TRUE__ ] && \ 217 [ "$ENABLE_OMP" = __TRUE__ ] && \
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H A D | common_vars.sh | 29 ENABLE_OMP=${ENABLE_OMP:-"__TRUE__"}
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H A D | install_elpa.sh | 107 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then 142 [ "$ENABLE_OMP" = "__TRUE__" ] && check_lib -lelpa_openmp "ELPA threaded version" 152 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then 182 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then
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H A D | install_fftw.sh | 60 [ $ENABLE_OMP = "__TRUE__" ] && check_lib -lfftw3_omp "FFTW"
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H A D | install_libvdwxc.sh | 15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] && [ $with_sirius ="__FALSE__" ] ; then
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H A D | install_openblas.sh | 80 if [ $ENABLE_OMP = "__TRUE__" ] ; then
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H A D | install_sirius.sh | 15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] ; then
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/toolchain/scripts/ |
H A D | generate_arch_files.sh | 192 [ "$ENABLE_OMP" = __TRUE__ ] && \ 199 [ "$ENABLE_OMP" = __TRUE__ ] && \ 202 [ "$ENABLE_OMP" = __TRUE__ ] && \ 206 [ "$ENABLE_OMP" = __TRUE__ ] && \ 209 [ "$ENABLE_OMP" = __TRUE__ ] && \ 211 [ "$ENABLE_OMP" = __TRUE__ ] && \ 214 [ "$ENABLE_OMP" = __TRUE__ ] && \ 217 [ "$ENABLE_OMP" = __TRUE__ ] && \
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H A D | common_vars.sh | 29 ENABLE_OMP=${ENABLE_OMP:-"__TRUE__"}
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H A D | install_elpa.sh | 114 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then 147 [ "$ENABLE_OMP" = "__TRUE__" ] && check_lib -lelpa_openmp "ELPA threaded version" 157 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then 187 if [ "$ENABLE_OMP" = "__TRUE__" ] ; then
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H A D | install_fftw.sh | 63 [ $ENABLE_OMP = "__TRUE__" ] && check_lib -lfftw3_omp "FFTW"
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H A D | install_libvdwxc.sh | 15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] && [ $with_sirius ="__FALSE__" ] ; then
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H A D | install_openblas.sh | 73 if [ $ENABLE_OMP = "__TRUE__" ] ; then
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H A D | install_sirius.sh | 15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] ; then
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/dports/science/gabedit/GabeditSrc251_300720/src/MultiGrid/ |
H A D | GridMG.c | 27 #ifdef ENABLE_OMP 114 #ifdef ENABLE_OMP in getNewGridMGUsingDomain() 134 #ifdef ENABLE_OMP in initAllGridMG() 155 #ifdef ENABLE_OMP in initInteriorGridMG() 171 #ifdef ENABLE_OMP in initBoundaryGridMG() 178 #ifdef ENABLE_OMP in initBoundaryGridMG() 186 #ifdef ENABLE_OMP in initBoundaryGridMG() 194 #ifdef ENABLE_OMP in initBoundaryGridMG() 201 #ifdef ENABLE_OMP in initBoundaryGridMG() 298 #ifdef ENABLE_OMP in equalAllGridMG() [all …]
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/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/ |
H A D | MolecularMechanics.c | 23 #ifdef ENABLE_OMP 1424 #ifdef ENABLE_OMP in calculateGradientBondAmber() 1449 #ifdef ENABLE_OMP in calculateGradientBondAmber() 1476 #ifdef ENABLE_OMP in calculateGradientBendAmber() 1585 #ifdef ENABLE_OMP in calculateGradientBendAmber() 1618 #ifdef ENABLE_OMP in calculateGradientDihedralAmber() 1764 #ifdef ENABLE_OMP in calculateGradientDihedralAmber() 1804 #ifdef ENABLE_OMP in calculateGradientNonBondedAmber() 1871 #ifdef ENABLE_OMP in calculateGradientNonBondedAmber() 1898 #ifdef ENABLE_OMP in calculateGradientHydrogenBondedAmber() [all …]
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/dports/science/gabedit/GabeditSrc251_300720/spglib/ |
H A D | kpoint.c | 537 #ifdef ENABLE_OMP in get_ir_reciprocal_mesh_normal() 580 #ifdef ENABLE_OMP in get_ir_reciprocal_mesh_distortion() 628 #ifdef ENABLE_OMP in get_num_ir()
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H A D | tetrahedron_method.c | 410 #ifdef ENABLE_OMP in get_integration_weight_at_omegas()
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/dports/science/gabedit/GabeditSrc251_300720/src/Display/ |
H A D | IntegralOrbitals.c | 23 #ifdef ENABLE_OMP 123 #ifdef ENABLE_OMP in compute_spatial_overlap_analytic() 141 #ifdef ENABLE_OMP in compute_spatial_overlap_analytic() 151 #ifdef ENABLE_OMP in compute_spatial_overlap_analytic() 172 #ifdef ENABLE_OMP in compute_spatial_overlap_analytic() 217 #ifdef ENABLE_OMP in compute_transition_matrix_analytic() 225 #ifdef ENABLE_OMP in compute_transition_matrix_analytic() 232 #ifdef ENABLE_OMP in compute_transition_matrix_analytic() 240 #ifdef ENABLE_OMP in compute_transition_matrix_analytic() 249 #ifdef ENABLE_OMP in compute_transition_matrix_analytic() [all …]
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H A D | VibrationLocal.c | 45 #ifdef ENABLE_OMP in setIdentity() 50 #ifdef ENABLE_OMP in setIdentity() 64 #ifdef ENABLE_OMP in prodMatrix() 81 #ifdef ENABLE_OMP in copyMatrix() 243 #ifdef ENABLE_OMP in computeAB() 253 #ifdef ENABLE_OMP in computeAB()
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H A D | Grid.c | 22 #ifdef ENABLE_OMP 360 #ifdef ENABLE_OMP in reset_limits_for_grid() 513 #ifdef ENABLE_OMP in define_grid_point_fed() 537 #ifdef ENABLE_OMP in define_grid_point_fed() 551 #ifdef ENABLE_OMP in define_grid_point_fed() 609 #ifdef ENABLE_OMP in define_grid_point() 634 #ifdef ENABLE_OMP in define_grid_point() 654 #ifdef ENABLE_OMP in define_grid_point() 856 #ifdef ENABLE_OMP in compute_coulomb_integrale() 868 #ifdef ENABLE_OMP in compute_coulomb_integrale() [all …]
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H A D | GridCP.c | 23 #ifdef ENABLE_OMP 887 #ifdef ENABLE_OMP in assignGridCP() 894 #ifdef ENABLE_OMP in assignGridCP() 919 #ifdef ENABLE_OMP in assignGridCP() 1022 #ifdef ENABLE_OMP in refineEdge() 1030 #ifdef ENABLE_OMP in refineEdge() 1053 #ifdef ENABLE_OMP in refineEdge()
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H A D | ReactivityIndices.c | 23 #ifdef ENABLE_OMP 291 #ifdef ENABLE_OMP in get_overlap_CGTF() 366 #ifdef ENABLE_OMP in get_f()
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/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/ |
H A D | NMRSpectrum.c | 25 #ifdef ENABLE_OMP 706 #ifdef ENABLE_OMP in addTransitions() 722 #ifdef ENABLE_OMP in addTransitions()
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/toolchain/ |
H A D | install_cp2k_toolchain.sh | 639 export ENABLE_OMP=$enable_omp
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