Match comparison for Energy [step 20] (match type 14084)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790917483206940e+01 | 1.900000000000000e-12 | -3.790917483206940e+01 | 7.462740235637057e-14 | -3.790917483206934e+01 | 1.527666881884215e-13 | PASS |
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Detailed information
Reference: -37.9091748320694, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -3.790917483206933e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |
| spack_foss-2022a_serial_opt | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2022a_serial_min | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2022a_serial | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| foss-2022a_opt | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| intel-2022b | -3.790917483206918e+01 | 2.131628207280301e-13 | 1.121909582779106e-01 | PASS |
| intel-2022a | -3.790917483206918e+01 | 2.131628207280301e-13 | 1.121909582779106e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.790917483206949e+01 | -9.237055564881302e-14 | -4.861608192042791e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| foss-2022a_omp | -3.790917483206948e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2022a_mpi | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel-2022a_omp | -3.790917483206937e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| intel-2022a_impi | -3.790917483206933e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790917483206946e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2022a_mpi_omp | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| eb_fosscuda-2022a | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| foss-2022a_mpi_omp | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| eb_foss-2022a | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| eb_foss-2022b_libxc6 | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| intel-2022a_omp_impi | -3.790917483206930e+01 | 9.237055564881302e-14 | 4.861608192042791e-02 | PASS |
| eb_foss-2022a_debug | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| eb_foss-2022a_mpi | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.790917483206947e+01 | -7.815970093361102e-14 | -4.113668470190054e-02 | PASS |
| eb_foss-2022a_mpi_debug | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| intel-2022b_impi | -3.790917483206933e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |