Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Groups
- components PASS
- finite_systems_3d PASS
- functionals PASS
- lda_u PASS
- linear_response PASS
- long-run PASS
- maxwell PASS
- multisystem PASS
- optimal_control PASS
- real_time PASS
- short-run PASS
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
02-derivatives_2d.01.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
11-hartree_cl.01-fft.inp PASS
14-center-geom.01-run.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
31-grid_interpolation.01.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
38-mixing.01_broyden.inp PASS
38-mixing.02_linear.inp PASS
38-mixing.03_diis.inp PASS
39-optimizers.inp PASS
-
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
-
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
05-ks_inversion.04-inv_godby.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
18-mgga.03-lda.inp PASS
18-mgga.04-ncbr.inp PASS
18-mgga.05-ncbr_oep.inp PASS
18-mgga.06_nccs.inp PASS
-
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
-
05-hartree_3d_fft.01-fft.inp PASS
05-hartree_3d_fft.02-fft_corrected.inp PASS
05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
13-j_dependent.01_O2.inp PASS
13-j_dependent.02_combined_j_orbs.inp PASS
-
06-circular-polarization.01-1_puse_circ_pol.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
-
01-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
02-interaction_graph.01-three_body.inp PASS
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.inp PASS
05-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
09-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.inp PASS
10-dftbplus_verlet.01-water.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
17-lasers.01-length_gauge.inp PASS
18-incompatible_timing.01-run.inp PASS
19-intra_interaction.01-ions.inp PASS
20-ensemble.01-solar-system.inp PASS
21-electronic_gs.01-gs.inp PASS
-
09-density+current.01-ground_state.inp PASS
09-density+current.02-oct.inp PASS
09-density+current.03-tdoct.inp PASS
-
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.inp PASS
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
01-nested_systems.01-two_levels.inp PASS
01-nested_systems.02-three_levels.inp PASS
01-nested_systems.03-four_levels.inp PASS
02-derivatives_2d.01.inp PASS
02-interaction_graph.01-three_body.inp PASS
03-interactions_creation.01-case1.inp PASS
03-interactions_creation.02-case2.inp PASS
03-interactions_creation.03-case3.inp PASS
03-interactions_creation.04-case4.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
04-propagation_verlet.01-two_body.inp PASS
04-propagation_verlet.02-three_body.inp PASS
04-propagation_verlet.03-two_body_different_time_steps.inp PASS
04-propagation_verlet.04-three_body_different_time_steps.inp PASS
05-ks_inversion.01-target_density.inp PASS
05-ks_inversion.02-two_particle.inp PASS
05-ks_inversion.03-inversion.inp PASS
05-ks_inversion.04-inv_godby.inp PASS
05-propagation_beeman.01-two_body.inp PASS
05-propagation_beeman.02-three_body.inp PASS
05-propagation_beeman.03-two_body_different_time_steps.inp PASS
05-propagation_beeman.04-three_body_different_time_steps.inp PASS
06-circular-polarization.01-1_puse_circ_pol.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
06-laser.01-gs.inp PASS
06-laser.02-length_gauge.inp PASS
06-laser.03-velocity_gauge.inp PASS
06-propagation_expmid.01-two_body.inp PASS
06-propagation_expmid.02-three_body.inp PASS
06-propagation_expmid.03-two_body_different_time_steps.inp PASS
06-propagation_expmid.04-three_body_different_time_steps.inp PASS
06-propagation_expmid.05-two_body_verlet_half.inp PASS
06-propagation_expmid.06-two_body_verlet.inp PASS
07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
08-coulomb_force.01-classical_helium.inp PASS
08-sternheimer-photons.01-gs.inp PASS
08-sternheimer-photons.02-em_resp.inp PASS
09-illegal_system_names.01-duplicated.inp PASS
09-illegal_system_names.02-empty.inp PASS
09-illegal_system_names.03-illegal_character.inp PASS
09-illegal_system_names.04-white_space.inp PASS
10-dftbplus_verlet.01-water.inp PASS
10-hartree_pfft.01-fft.inp PASS
10-hartree_pfft.02-fft_corrected.inp PASS
10-hartree_pfft.03-3d_1d_periodic.inp PASS
10-hartree_pfft.04-3d_3d_periodic.inp PASS
10-hartree_pfft.05-3d_2d_periodic.inp PASS
10-hartree_pfft.06-fft-parstates.inp PASS
11-dftbplus_ehrenfest.01-benzene.inp PASS
11-hartree_cl.01-fft.inp PASS
13-restart_verlet.01-restart-run-part1.inp PASS
13-restart_verlet.02-restart-run-part2.inp PASS
13-restart_verlet.03-full-run.inp PASS
14-center-geom.01-run.inp PASS
14-lennard-jones.01-classical-particles-N2.inp PASS
17-lasers.01-length_gauge.inp PASS
18-incompatible_timing.01-run.inp PASS
18-mgga.01-br89.inp PASS
18-mgga.02-br89_oep.inp PASS
18-mgga.03-lda.inp PASS
18-mgga.04-ncbr.inp PASS
18-mgga.05-ncbr_oep.inp PASS
18-mgga.06_nccs.inp PASS
19-intra_interaction.01-ions.inp PASS
20-ensemble.01-solar-system.inp PASS
21-electronic_gs.01-gs.inp PASS
21-scissor.01-gs.inp PASS
21-scissor.02-td.inp PASS
21-scissor.03-spectrum.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-local_multipoles.01-gs.inp PASS
30-local_multipoles.02-multipoles.inp PASS
30-local_multipoles.03-multipoles_restart.inp PASS
31-grid_interpolation.01.inp PASS
36-maxwell_vector_potential.inp PASS
37-current-density.inp PASS
38-mixing.01_broyden.inp PASS
38-mixing.02_linear.inp PASS
38-mixing.03_diis.inp PASS
39-optimizers.inp PASS
Tests
- components/01-derivatives_1d.test PASS
- components/02-derivatives_2d.test PASS
- components/04-hartree_3d_cg.test PASS
- components/05-hartree_3d_fft.test PASS
- 05-hartree_3d_fft.01-fft.inp PASS
- 05-hartree_3d_fft.02-fft_corrected.inp PASS
- 05-hartree_3d_fft.03-3d_1d_periodic.inp PASS
- 05-hartree_3d_fft.04-3d_3d_periodic.inp PASS
- 05-hartree_3d_fft.05-3d_2d_periodic.inp PASS
- components/06-hartree_3d_isf.test PASS
- components/10-hartree_pfft.test PASS
- 10-hartree_pfft.01-fft.inp PASS
- 10-hartree_pfft.02-fft_corrected.inp PASS
- 10-hartree_pfft.03-3d_1d_periodic.inp PASS
- 10-hartree_pfft.04-3d_3d_periodic.inp PASS
- 10-hartree_pfft.05-3d_2d_periodic.inp PASS
- 10-hartree_pfft.06-fft-parstates.inp PASS
- components/11-hartree_cl.test PASS
- components/14-center-geom.test PASS
- components/28-cgal.test PASS
- 28-cgal.01.inp PASS
- components/29-linear_solver.test PASS
- components/31-grid_interpolation.test PASS
- components/36-maxwell_vector_potential.test PASS
- components/37-current-density.test PASS
- components/38-mixing.test PASS
- 38-mixing.01_broyden.inp PASS
- 38-mixing.02_linear.inp PASS
- 38-mixing.03_diis.inp PASS
- components/39-optimizers.test PASS
- 39-optimizers.inp PASS
- finite_systems_3d/30-local_multipoles.test PASS
- 30-local_multipoles.01-gs.inp PASS
- 30-local_multipoles.02-multipoles.inp PASS
- 30-local_multipoles.03-multipoles_restart.inp PASS
- functionals/05-ks_inversion.test PASS
- 05-ks_inversion.01-target_density.inp PASS
- 05-ks_inversion.02-two_particle.inp PASS
- 05-ks_inversion.03-inversion.inp PASS
- 05-ks_inversion.04-inv_godby.inp PASS
- functionals/07-sic.test PASS
- 07-sic.01-gs.inp PASS
- 07-sic.02-scdm.inp PASS
- functionals/18-mgga.test PASS
- 18-mgga.01-br89.inp PASS
- 18-mgga.02-br89_oep.inp PASS
- 18-mgga.03-lda.inp PASS
- 18-mgga.04-ncbr.inp PASS
- 18-mgga.05-ncbr_oep.inp PASS
- 18-mgga.06_nccs.inp PASS
- lda_u/06-laser.test PASS
- lda_u/13-j_dependent.test PASS
- linear_response/08-sternheimer-photons.test PASS
- maxwell/06-circular-polarization.test PASS
- maxwell/07-mode-resolved-maxwell-ks-propagation.test PASS
- 07-mode-resolved-maxwell-ks-propagation.01-1D-Helium-ground-state.inp PASS
- 07-mode-resolved-maxwell-ks-propagation.02-kick-of-the-electronic-subsystem.inp PASS
- multisystem/01-nested_systems.test PASS
- 01-nested_systems.01-two_levels.inp PASS
- 01-nested_systems.02-three_levels.inp PASS
- 01-nested_systems.03-four_levels.inp PASS
- multisystem/02-interaction_graph.test PASS
- multisystem/03-interactions_creation.test PASS
- 03-interactions_creation.01-case1.inp PASS
- 03-interactions_creation.02-case2.inp PASS
- 03-interactions_creation.03-case3.inp PASS
- 03-interactions_creation.04-case4.inp PASS
- multisystem/04-propagation_verlet.test PASS
- 04-propagation_verlet.01-two_body.inp PASS
- 04-propagation_verlet.02-three_body.inp PASS
- 04-propagation_verlet.03-two_body_different_time_steps.inp PASS
- 04-propagation_verlet.04-three_body_different_time_steps.inp PASS
- multisystem/05-propagation_beeman.test PASS
- 05-propagation_beeman.01-two_body.inp PASS
- 05-propagation_beeman.02-three_body.inp PASS
- 05-propagation_beeman.03-two_body_different_time_steps.inp PASS
- 05-propagation_beeman.04-three_body_different_time_steps.inp PASS
- multisystem/06-propagation_expmid.test PASS
- 06-propagation_expmid.01-two_body.inp PASS
- 06-propagation_expmid.02-three_body.inp PASS
- 06-propagation_expmid.03-two_body_different_time_steps.inp PASS
- 06-propagation_expmid.04-three_body_different_time_steps.inp PASS
- 06-propagation_expmid.05-two_body_verlet_half.inp PASS
- 06-propagation_expmid.06-two_body_verlet.inp PASS
- multisystem/07-lorentz-force.test PASS
- 07-lorentz-force.01-charged_particle_coupled_to_maxwell.inp PASS
- 07-lorentz-force.02-charged_particle_in_static_efield.inp PASS
- 07-lorentz-force.03-charged_particle_illegal_propagator.inp PASS
- multisystem/08-coulomb_force.test PASS
- multisystem/09-illegal_system_names.test PASS
- 09-illegal_system_names.01-duplicated.inp PASS
- 09-illegal_system_names.02-empty.inp PASS
- 09-illegal_system_names.03-illegal_character.inp PASS
- 09-illegal_system_names.04-white_space.inp PASS
- multisystem/10-dftbplus_verlet.test PASS
- multisystem/11-dftbplus_ehrenfest.test PASS
- multisystem/13-restart_verlet.test PASS
- 13-restart_verlet.01-restart-run-part1.inp PASS
- 13-restart_verlet.02-restart-run-part2.inp PASS
- 13-restart_verlet.03-full-run.inp PASS
- multisystem/14-lennard-jones.test PASS
- multisystem/17-lasers.test PASS
- multisystem/18-incompatible_timing.test PASS
- multisystem/19-intra_interaction.test PASS
- multisystem/20-ensemble.test PASS
- multisystem/21-electronic_gs.test PASS
- optimal_control/09-density+current.test PASS
- 09-density+current.01-ground_state.inp PASS
- 09-density+current.02-oct.inp PASS
- 09-density+current.03-tdoct.inp PASS
- real_time/21-scissor.test PASS
- 21-scissor.01-gs.inp PASS
- 21-scissor.02-td.inp PASS
- 21-scissor.03-spectrum.inp PASS