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Searched refs:ENABLE_OMP (Results 1 – 25 of 28) sorted by relevance

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/dports/science/cp2k-data/cp2k-7.1.0/tools/toolchain/scripts/
H A Dgenerate_arch_files.sh192 [ "$ENABLE_OMP" = __TRUE__ ] && \
199 [ "$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__ ] && \
H A Dcommon_vars.sh29 ENABLE_OMP=${ENABLE_OMP:-"__TRUE__"}
H A Dinstall_elpa.sh107 if [ "$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
H A Dinstall_fftw.sh60 [ $ENABLE_OMP = "__TRUE__" ] && check_lib -lfftw3_omp "FFTW"
H A Dinstall_libvdwxc.sh15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] && [ $with_sirius ="__FALSE__" ] ; then
H A Dinstall_openblas.sh80 if [ $ENABLE_OMP = "__TRUE__" ] ; then
H A Dinstall_sirius.sh15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] ; then
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/toolchain/scripts/
H A Dgenerate_arch_files.sh192 [ "$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 [ "$ENABLE_OMP" = __TRUE__ ] && \
H A Dcommon_vars.sh29 ENABLE_OMP=${ENABLE_OMP:-"__TRUE__"}
H A Dinstall_elpa.sh114 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
H A Dinstall_fftw.sh63 [ $ENABLE_OMP = "__TRUE__" ] && check_lib -lfftw3_omp "FFTW"
H A Dinstall_libvdwxc.sh15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] && [ $with_sirius ="__FALSE__" ] ; then
H A Dinstall_openblas.sh73 if [ $ENABLE_OMP = "__TRUE__" ] ; then
H A Dinstall_sirius.sh15 if [ "$MPI_MODE" = "no" ] && [ "$ENABLE_OMP" = "__FALSE__" ] ; then
/dports/science/gabedit/GabeditSrc251_300720/src/MultiGrid/
H A DGridMG.c27 #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 …]
/dports/science/gabedit/GabeditSrc251_300720/src/MolecularMechanics/
H A DMolecularMechanics.c23 #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 …]
/dports/science/gabedit/GabeditSrc251_300720/spglib/
H A Dkpoint.c537 #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()
H A Dtetrahedron_method.c410 #ifdef ENABLE_OMP in get_integration_weight_at_omegas()
/dports/science/gabedit/GabeditSrc251_300720/src/Display/
H A DIntegralOrbitals.c23 #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 …]
H A DVibrationLocal.c45 #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()
H A DGrid.c22 #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 …]
H A DGridCP.c23 #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()
H A DReactivityIndices.c23 #ifdef ENABLE_OMP
291 #ifdef ENABLE_OMP in get_overlap_CGTF()
366 #ifdef ENABLE_OMP in get_f()
/dports/science/gabedit/GabeditSrc251_300720/src/Spectrum/
H A DNMRSpectrum.c25 #ifdef ENABLE_OMP
706 #ifdef ENABLE_OMP in addTransitions()
722 #ifdef ENABLE_OMP in addTransitions()
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/toolchain/
H A Dinstall_cp2k_toolchain.sh639 export ENABLE_OMP=$enable_omp

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