Match comparison for Energy [step 20] (match type 14084)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
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 | -3.790917483206942e+01 | 5.820863543440901e-14 | -3.790917483206933e+01 | 1.492139745096210e-13 | PASS |
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Detailed information
Reference: -37.9091748320694, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -3.790917483206933e+01 | 7.105427357601002e-14 | 3.739698609263685e-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 |
| spack_foss-2022a_cuda_mpi_omp | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790917483206946e+01 | -6.394884621840902e-14 | -3.365728748337317e-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 |
| spack_foss-2022a_mpi_min | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2022a_mpi | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2023a_mpi | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2023a_serial | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2023a_serial_min | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.790917483206946e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2023b_serial | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.790917483206948e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| spack_intel-2023a_serial | -3.790917483206918e+01 | 2.131628207280301e-13 | 1.121909582779106e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| spack_intel-2023a_impi | -3.790917483206934e+01 | 5.684341886080801e-14 | 2.991758887410948e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.790917483206934e+01 | 5.684341886080801e-14 | 2.991758887410948e-02 | PASS |