Run foss-mpi-full: [foss2023a-mpi]
Groups
- components PASS
- errors PASS
- finite_systems_1d PASS
- finite_systems_2d PASS
- finite_systems_3d PASS
- functionals PASS
- long-run 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
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.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
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
12-hartree_direct_3d.01.inp PASS
13-hartree_3d_mg.01-multigrid.inp PASS
13-hartree_3d_mg.02-curvilinear.inp PASS
13-hartree_3d_mg.03-w_shape.inp PASS
13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
14-center-geom.01-run.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
17-recipe.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.inp PASS
19-hgh_soc.01-3d.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
22-density_calc.01-Si.inp PASS
23-exponential_apply.01-jellium.inp PASS
24-boundaries.01-jellium.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
27-clock.01.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.inp PASS
31-grid_interpolation.01.inp PASS
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.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
-
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
-
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.inp PASS
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
06-gdlib.01-gs.inp PASS
07-user_def_box.01-gs.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
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
-
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
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
01-hydrogen.01-ground_state.inp PASS
01-hydrogen.02-excited_state.inp PASS
01-hydrogen.03-dummy.inp PASS
01-hydrogen.04-absorbing_boundaries.inp PASS
01-quadratic_box.01-ground_state.inp PASS
01-quadratic_box.02-hartree.inp PASS
01-quadratic_box.03-hartree+xc.inp PASS
01-quadratic_box.04-spin_polarized.inp PASS
01-run_mode.01-one_shot.inp PASS
02-derivatives_2d.01.inp PASS
02-scf_errors.01-rdmft.inp PASS
03-He-Hartree-Fock.01-gs.inp PASS
03-helium_atom.01-ground_state.inp PASS
03-helium_atom.02-ground_state.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
04-lithium.01-ground_state.inp PASS
04-lithium.02-absorbing_boundaries.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
06-gdlib.01-gs.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
07-cholesky_serial.01-real.inp PASS
07-cholesky_serial.02-complex.inp PASS
07-cholesky_serial.03-parindep.inp PASS
07-user_def_box.01-gs.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.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
13-hartree_3d_mg.01-multigrid.inp PASS
13-hartree_3d_mg.02-curvilinear.inp PASS
13-hartree_3d_mg.03-w_shape.inp PASS
13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
14-center-geom.01-run.inp PASS
15-cholesky_parallel.01-real.inp PASS
15-cholesky_parallel.02-complex.inp PASS
16-hartree_3d_psolver.01-psolver.inp PASS
16-hartree_3d_psolver.02-psolver.inp PASS
17-recipe.inp PASS
18-interpolation.01-1d.inp PASS
18-interpolation.02-2d.inp PASS
18-interpolation.03-3d.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-hgh_soc.01-3d.inp PASS
20-dft_u.01-real_mesh.inp PASS
20-dft_u.02-real_submesh.inp PASS
20-dft_u.03-complex_mesh.inp PASS
20-dft_u.04-complex_submesh.inp PASS
20-dft_u.05-real_mesh_unpacked.inp PASS
20-dft_u.06-real_submesh_unpacked.inp PASS
20-dft_u.07-complex_mesh_unpacked.inp PASS
20-dft_u.08-complex_submesh_unpacked.inp PASS
21-hamiltonian_apply.01-Si.inp PASS
22-density_calc.01-Si.inp PASS
23-exponential_apply.01-jellium.inp PASS
24-boundaries.01-jellium.inp PASS
25-subspace.01-jellium.inp PASS
26-batch_ops.01-jellium.inp PASS
26-batch_ops.02-jellium-complex.inp PASS
26-batch_ops.03-jellium-spinor.inp PASS
27-clock.01.inp PASS
28-cgal.01.inp PASS
29-linear_solver.01-real.inp PASS
30-eigensolver.01.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
32-hash-tables.01-iihash.inp PASS
32-hash-tables.02-sihash.inp PASS
32-hash-tables.03-sphash.inp PASS
35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
35-helmholtz_decom.05-sphere_small_box_with_surf_corr.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/07-cholesky_serial.test PASS
- 07-cholesky_serial.01-real.inp PASS
- 07-cholesky_serial.02-complex.inp PASS
- 07-cholesky_serial.03-parindep.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/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/12-hartree_direct_3d.test PASS
- components/13-hartree_3d_mg.test PASS
- 13-hartree_3d_mg.01-multigrid.inp PASS
- 13-hartree_3d_mg.02-curvilinear.inp PASS
- 13-hartree_3d_mg.03-w_shape.inp PASS
- 13-hartree_3d_mg.04-curvilinear_gauss_seidel.inp PASS
- components/14-center-geom.test PASS
- components/15-cholesky_parallel.test PASS
- components/16-hartree_3d_psolver.test PASS
- components/17-recipe.test PASS
- 17-recipe.inp PASS
- components/18-interpolation.test PASS
- components/19-hgh_soc.test PASS
- 19-hgh_soc.01-3d.inp PASS
- components/20-dft_u.test PASS
- 20-dft_u.01-real_mesh.inp PASS
- 20-dft_u.02-real_submesh.inp PASS
- 20-dft_u.03-complex_mesh.inp PASS
- 20-dft_u.04-complex_submesh.inp PASS
- 20-dft_u.05-real_mesh_unpacked.inp PASS
- 20-dft_u.06-real_submesh_unpacked.inp PASS
- 20-dft_u.07-complex_mesh_unpacked.inp PASS
- 20-dft_u.08-complex_submesh_unpacked.inp PASS
- components/21-hamiltonian_apply.test PASS
- components/22-density_calc.test PASS
- components/23-exponential_apply.test PASS
- components/24-boundaries.test PASS
- components/25-subspace.test PASS
- components/26-batch_ops.test PASS
- 26-batch_ops.01-jellium.inp PASS
- 26-batch_ops.02-jellium-complex.inp PASS
- 26-batch_ops.03-jellium-spinor.inp PASS
- components/27-clock.test PASS
- 27-clock.01.inp PASS
- components/28-cgal.test PASS
- 28-cgal.01.inp PASS
- components/29-linear_solver.test PASS
- components/30-eigensolver.test PASS
- components/31-grid_interpolation.test PASS
- components/32-hash-tables.test PASS
- 32-hash-tables.01-iihash.inp PASS
- 32-hash-tables.02-sihash.inp PASS
- 32-hash-tables.03-sphash.inp PASS
- components/35-helmholtz_decom.test PASS
- 35-helmholtz_decom.01-large_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.02-small_box_no_surf_corr.inp PASS
- 35-helmholtz_decom.03-parallelepiped_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.04-cylinder_small_box_with_surf_corr.inp PASS
- 35-helmholtz_decom.05-sphere_small_box_with_surf_corr.inp 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
- errors/01-run_mode.test PASS
- errors/02-scf_errors.test PASS
- finite_systems_1d/01-hydrogen.test PASS
- 01-hydrogen.01-ground_state.inp PASS
- 01-hydrogen.02-excited_state.inp PASS
- 01-hydrogen.03-dummy.inp PASS
- 01-hydrogen.04-absorbing_boundaries.inp PASS
- finite_systems_1d/03-He-Hartree-Fock.test PASS
- finite_systems_1d/04-lithium.test PASS
- finite_systems_1d/09-morse.test PASS
- 09-morse.01-gs.inp PASS
- 09-morse.02-unocc.inp PASS
- 09-morse.03-td.inp PASS
- finite_systems_2d/01-quadratic_box.test PASS
- 01-quadratic_box.01-ground_state.inp PASS
- 01-quadratic_box.02-hartree.inp PASS
- 01-quadratic_box.03-hartree+xc.inp PASS
- 01-quadratic_box.04-spin_polarized.inp PASS
- finite_systems_2d/03-helium_atom.test PASS
- finite_systems_2d/06-gdlib.test PASS
- 06-gdlib.01-gs.inp PASS
- finite_systems_2d/07-user_def_box.test 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/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