Run valgrind: [foss2023a-serial]
Groups
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.inp PASS
04-hartree_3d_cg.01-cg_corrected.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
11-hartree_cl.01-fft.inp PASS
14-center-geom.01-run.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
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
33-mpiwrappers.01-wrappers.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
-
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.inp PASS
03-He-Hartree-Fock.01-gs.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
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.inp PASS
-
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
-
01-derivatives_1d.01.inp PASS
01-derivatives_1d.02-fortran.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
01-xc_1d.01-wfs-lda.inp PASS
01-xc_1d.02-wfs-hf.inp PASS
01-xc_1d.lda_csc.inp PASS
01-xc_1d.oep_exx.inp PASS
01-xc_1d.oep_kli.inp PASS
02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
02-neon_mpi.03-td_calc-kli_par_states.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
06-gdlib.01-gs.inp PASS
06-hartree_3d_isf.01-isf.inp PASS
07-user_def_box.01-gs.inp PASS
09-magnetic_2d.01-no_field.inp PASS
09-magnetic_2d.02-gs_gauge_xy.inp PASS
09-magnetic_2d.03-gs_gauge_y.inp PASS
09-morse.01-gs.inp PASS
09-morse.02-unocc.inp PASS
09-morse.03-td.inp PASS
11-hartree_cl.01-fft.inp PASS
14-center-geom.01-run.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
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
24-o2-spin.01-gs.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
33-mpiwrappers.01-wrappers.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
- 17-recipe.inp PASS
- 19-hgh_soc.01-3d.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
- 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
- 38-mixing.01_broyden.inp PASS
- 38-mixing.02_linear.inp PASS
- 38-mixing.03_diis.inp PASS
- 39-optimizers.inp PASS
- 02-neon_mpi.01-ground_state-IP_par_domains.inp PASS
- 02-neon_mpi.02-ground_state-kli_par_domains.inp PASS
- 02-neon_mpi.03-td_calc-kli_par_states.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
- 06-gdlib.01-gs.inp PASS
- 09-magnetic_2d.01-no_field.inp PASS
- 09-magnetic_2d.02-gs_gauge_xy.inp PASS
- 09-magnetic_2d.03-gs_gauge_y.inp PASS
- 24-o2-spin.01-gs.inp PASS
- 01-xc_1d.01-wfs-lda.inp PASS
- 01-xc_1d.02-wfs-hf.inp PASS
- 01-xc_1d.lda_csc.inp PASS
- 01-xc_1d.oep_exx.inp PASS
- 01-xc_1d.oep_kli.inp PASS