Run GCI_foss_cuda_autotools: [foss2022a-cuda-mpi]
Groups
-
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
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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
-
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
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
31-acetylene_b3lyp.01-gs.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
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06-rdmft.01-ip.inp PASS
06-rdmft.02-gs_basis.inp PASS
06-rdmft.03-gs_grid.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
23-xc_lrx.inp PASS
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01-nio.01-U5-gs.inp PASS
01-nio.02-unocc.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
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-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
23-xc_lrx.inp PASS
31-acetylene_b3lyp.01-gs.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
Tests
- 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
- 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
- 14-fullerene_unpacked.01-gs.inp PASS
- 14-fullerene_unpacked.02-td-unpacked.inp PASS
- 14-fullerene_unpacked.03-td-packed.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
- 36-kli_x.01-gs.inp PASS
- 36-kli_x.02-gs_spinors.inp PASS
- 41-gpu-bug.01-C.inp PASS
- 06-rdmft.01-ip.inp PASS
- 06-rdmft.02-gs_basis.inp PASS
- 06-rdmft.03-gs_grid.inp PASS
- 08-vdw_ts.01-gs.inp PASS
- 23-xc_lrx.inp PASS
- 01-nio.01-U5-gs.inp PASS
- 01-nio.02-unocc.inp PASS