Match comparison for Tot. Maxwell energy [step 300] (match type 24562)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.018982059021665e-05 | 5.000000000000000e-11 | 3.018981829855275e-05 | 1.708896211415636e-19 | 3.018981829855267e-05 | 3.049318610115481e-19 | PASS |
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Detailed information
Reference: 0.00003018982059021665, precision: 0.00000000005| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| spack_foss-2022a_serial_min | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| foss-2022a_ppc | 3.018981829855275e-05 | -2.291663901829097e-12 | -4.583327803658194e-02 | PASS |
| spack_foss-2022a_serial_opt | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| spack_foss-2022a_serial | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| foss-2022a_opt | 3.018981829855267e-05 | -2.291663979756128e-12 | -4.583327959512256e-02 | PASS |
| intel-2022b | 3.018981829855279e-05 | -2.291663857783384e-12 | -4.583327715566767e-02 | PASS |
| intel-2022a | 3.018981829855279e-05 | -2.291663857783384e-12 | -4.583327715566767e-02 | PASS |
| spack_foss-2022a_serial_omp | 3.018981829855246e-05 | -2.291664186432167e-12 | -4.583328372864334e-02 | PASS |
| cmake_foss_2022a_full_mpi | 3.018981829855286e-05 | -2.291663790020748e-12 | -4.583327580041496e-02 | PASS |
| spack_foss-2022a_serial_debug | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| foss-2022a_omp | 3.018981829855236e-05 | -2.291664288076121e-12 | -4.583328576152242e-02 | PASS |
| intel-2022a_omp | 3.018981829855280e-05 | -2.291663844230856e-12 | -4.583327688461713e-02 | PASS |
| intel-2022b_impi | 3.018981829855273e-05 | -2.291663915381624e-12 | -4.583327830763248e-02 | PASS |
| intel-2022a_impi | 3.018981829855273e-05 | -2.291663915381624e-12 | -4.583327830763248e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.018981829855249e-05 | -2.291664162715245e-12 | -4.583328325430489e-02 | PASS |
| eb_fosscuda-2022a | 3.018981829855296e-05 | -2.291663691764926e-12 | -4.583327383529852e-02 | PASS |
| cmake_foss_2022a_min_serial | 3.018981829855291e-05 | -2.291663735810639e-12 | -4.583327471621278e-02 | PASS |
| foss-2022a_mpi_omp | 3.018981829855263e-05 | -2.291664020413709e-12 | -4.583328040827419e-02 | PASS |
| cmake_foss_2022a_min_mpi | 3.018981829855283e-05 | -2.291663820513934e-12 | -4.583327641027868e-02 | PASS |
| eb_foss-2022a | 3.018981829855267e-05 | -2.291663979756128e-12 | -4.583327959512256e-02 | PASS |
| eb_foss-2022b_libxc6 | 3.018981829855297e-05 | -2.291663678212399e-12 | -4.583327356424798e-02 | PASS |
| eb_foss-2022a_debug | 3.018981829855267e-05 | -2.291663979756128e-12 | -4.583327959512256e-02 | PASS |
| intel-2022a_omp_impi | 3.018981829855247e-05 | -2.291664179655904e-12 | -4.583328359311807e-02 | PASS |
| eb_foss-2022a_mpi | 3.018981829855290e-05 | -2.291663752751298e-12 | -4.583327505502596e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.018981829855252e-05 | -2.291664128833927e-12 | -4.583328257667853e-02 | PASS |
| eb_foss-2022a_mpi_debug | 3.018981829855290e-05 | -2.291663752751298e-12 | -4.583327505502596e-02 | PASS |