Run intel_omp_autotools: [intel2022a-serial]
Groups
- components PASS
- finite_systems_2d PASS
- finite_systems_3d PASS
- functionals PASS
- long-run 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
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
12-hartree_direct_3d.01.inp PASS
-
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
04-biot_savart.01-gs.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
04-jellium.01-ground_state.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
10-fullerene.01-gs.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-preconditioner_poisson.01-poisson.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
-
06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
08-vdw_ts.01-gs.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
20-qedft-breit-2d.01-etac-px.inp PASS
20-qedft-breit-2d.02-pxlda-weak.inp PASS
20-qedft-breit-2d.03-pxlda-strong.inp PASS
23-xc_lrx.inp PASS
-
01-carbon_atom.01-psf_l0.inp PASS
01-carbon_atom.02-psf_l1.inp PASS
01-carbon_atom.03-static_field.inp PASS
01-carbon_atom.04-smear.inp PASS
02-fock-darwin.01-ground_state.inp PASS
02-fock-darwin.02-ground_state.inp PASS
02-fock-darwin.03-ground_state.inp PASS
02-fock-darwin.04-ground_state.inp PASS
03-magnetic.01-gs-unpolarized.inp PASS
03-magnetic.02-td-unpolarized.inp PASS
03-magnetic.03-gs-polarized.inp PASS
03-magnetic.04-td-polarized.inp PASS
03-magnetic.05-gs-spinors.inp PASS
03-magnetic.06-td-spinors.inp PASS
04-biot_savart.01-gs.inp PASS
04-jellium.01-ground_state.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-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.inp PASS
07-sic.01-gs.inp PASS
07-sic.02-scdm.inp PASS
08-gs.01-cgs_real.inp PASS
08-gs.02-cgs_complex.inp PASS
08-gs.03-mgs_real.inp PASS
08-gs.04-mgs_complex.inp PASS
08-gs.05-drcgs_real.inp PASS
08-gs.06-drcgs_complex.inp PASS
08-spin_orbit_coupling_full.01-hgh.inp PASS
08-spin_orbit_coupling_full.02-rkb.inp PASS
08-spin_orbit_coupling_full.03-unocc.inp PASS
08-vdw_ts.01-gs.inp PASS
10-fullerene.01-gs.inp PASS
12-hartree_direct_3d.01.inp PASS
12-vdw_solid_c6.01-gs_diamond.inp PASS
12-vdw_solid_c6.02-gs_graphene.inp PASS
14-fullerene_unpacked.01-gs.inp PASS
14-fullerene_unpacked.02-td-unpacked.inp PASS
14-fullerene_unpacked.03-td-packed.inp PASS
15-fullerene_stdlcao.01-gs.inp PASS
16-scfinlcao_std.01-gs.inp PASS
17-scfinlcao_alt.01-gs.inp PASS
18-preconditioner_poisson.01-poisson.inp PASS
20-qedft-breit-2d.01-etac-px.inp PASS
20-qedft-breit-2d.02-pxlda-weak.inp PASS
20-qedft-breit-2d.03-pxlda-strong.inp PASS
23-go-na2.01-steep.inp PASS
23-go-na2.02-simplex.inp PASS
23-go-na2.03-fire.inp PASS
23-go-na2.04-fire_restart.inp PASS
23-go-na2.05-constrains.inp PASS
23-xc_lrx.inp PASS
29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
32-tdpcm_methane.01-ground_state.inp PASS
32-tdpcm_methane.02-td_prop_neq.inp PASS
32-tdpcm_methane.03-td_prop_eom.inp PASS
34-walltime.01-gs_walltime.inp PASS
34-walltime.02-restart_gs.inp PASS
34-walltime.03-td_walltime.inp PASS
34-walltime.04-restart_td.inp PASS
35-slater_x.01-gs.inp PASS
35-slater_x.02-gs_spinors.inp PASS
36-kli_x.01-gs.inp PASS
36-kli_x.02-gs_spinors.inp PASS
38-carbon_atom_cgal_box.01-gs.inp PASS
41-gpu-bug.01-C.inp PASS
42-full_potential_anc.01-gs.inp PASS
42-full_potential_anc.02-sc-zora.inp PASS
42-full_potential_anc.03-sf-zora.inp PASS
42-full_potential_anc.04-fr-zora.inp PASS
42-full_potential_anc.05-zora-error.inp PASS
Tests
- 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/08-gs.test PASS
- 08-gs.01-cgs_real.inp PASS
- 08-gs.02-cgs_complex.inp PASS
- 08-gs.03-mgs_real.inp PASS
- 08-gs.04-mgs_complex.inp PASS
- 08-gs.05-drcgs_real.inp PASS
- 08-gs.06-drcgs_complex.inp PASS
- components/12-hartree_direct_3d.test PASS
- finite_systems_2d/02-fock-darwin.test PASS
- 02-fock-darwin.01-ground_state.inp PASS
- 02-fock-darwin.02-ground_state.inp PASS
- 02-fock-darwin.03-ground_state.inp PASS
- 02-fock-darwin.04-ground_state.inp PASS
- finite_systems_2d/04-biot_savart.test PASS
- finite_systems_3d/01-carbon_atom.test PASS
- 01-carbon_atom.01-psf_l0.inp PASS
- 01-carbon_atom.02-psf_l1.inp PASS
- 01-carbon_atom.03-static_field.inp PASS
- 01-carbon_atom.04-smear.inp PASS
- finite_systems_3d/03-magnetic.test PASS
- 03-magnetic.01-gs-unpolarized.inp PASS
- 03-magnetic.02-td-unpolarized.inp PASS
- 03-magnetic.03-gs-polarized.inp PASS
- 03-magnetic.04-td-polarized.inp PASS
- 03-magnetic.05-gs-spinors.inp PASS
- 03-magnetic.06-td-spinors.inp PASS
- finite_systems_3d/04-jellium.test PASS
- finite_systems_3d/08-spin_orbit_coupling_full.test PASS
- 08-spin_orbit_coupling_full.01-hgh.inp PASS
- 08-spin_orbit_coupling_full.02-rkb.inp PASS
- 08-spin_orbit_coupling_full.03-unocc.inp PASS
- finite_systems_3d/10-fullerene.test PASS
- finite_systems_3d/14-fullerene_unpacked.test PASS
- 14-fullerene_unpacked.01-gs.inp PASS
- 14-fullerene_unpacked.02-td-unpacked.inp PASS
- 14-fullerene_unpacked.03-td-packed.inp PASS
- finite_systems_3d/15-fullerene_stdlcao.test PASS
- finite_systems_3d/16-scfinlcao_std.test PASS
- finite_systems_3d/17-scfinlcao_alt.test PASS
- finite_systems_3d/18-preconditioner_poisson.test PASS
- finite_systems_3d/23-go-na2.test PASS
- 23-go-na2.01-steep.inp PASS
- 23-go-na2.02-simplex.inp PASS
- 23-go-na2.03-fire.inp PASS
- 23-go-na2.04-fire_restart.inp PASS
- 23-go-na2.05-constrains.inp PASS
- finite_systems_3d/29-pcm_chlorine_anion.test PASS
- 29-pcm_chlorine_anion.01-ground_state-n60.inp PASS
- 29-pcm_chlorine_anion.02-td_prop-n60.inp PASS
- 29-pcm_chlorine_anion.03-ground_state-n60-poisson.inp PASS
- 29-pcm_chlorine_anion.04-ground_state-n240.inp PASS
- finite_systems_3d/32-tdpcm_methane.test PASS
- 32-tdpcm_methane.01-ground_state.inp PASS
- 32-tdpcm_methane.02-td_prop_neq.inp PASS
- 32-tdpcm_methane.03-td_prop_eom.inp PASS
- finite_systems_3d/34-walltime.test PASS
- 34-walltime.01-gs_walltime.inp PASS
- 34-walltime.02-restart_gs.inp PASS
- 34-walltime.03-td_walltime.inp PASS
- 34-walltime.04-restart_td.inp PASS
- finite_systems_3d/35-slater_x.test PASS
- finite_systems_3d/36-kli_x.test PASS
- 36-kli_x.01-gs.inp PASS
- 36-kli_x.02-gs_spinors.inp PASS
- finite_systems_3d/38-carbon_atom_cgal_box.test PASS
- finite_systems_3d/41-gpu-bug.test PASS
- 41-gpu-bug.01-C.inp PASS
- finite_systems_3d/42-full_potential_anc.test PASS
- 42-full_potential_anc.01-gs.inp PASS
- 42-full_potential_anc.02-sc-zora.inp PASS
- 42-full_potential_anc.03-sf-zora.inp PASS
- 42-full_potential_anc.04-fr-zora.inp PASS
- 42-full_potential_anc.05-zora-error.inp PASS
- functionals/06-rdmft.test PASS
- 06-rdmft.01-ip.inp PASS
- 06-rdmft.02-gs_basis.inp PASS
- 06-rdmft.03-gs_grid.inp PASS
- functionals/07-sic.test PASS
- 07-sic.01-gs.inp PASS
- 07-sic.02-scdm.inp PASS
- functionals/08-vdw_ts.test PASS
- 08-vdw_ts.01-gs.inp PASS
- functionals/12-vdw_solid_c6.test PASS
- functionals/20-qedft-breit-2d.test PASS
- 20-qedft-breit-2d.01-etac-px.inp PASS
- 20-qedft-breit-2d.02-pxlda-weak.inp PASS
- 20-qedft-breit-2d.03-pxlda-strong.inp PASS
- functionals/23-xc_lrx.test PASS
- 23-xc_lrx.inp PASS