Match comparison for Energy [step 1] (match type 14080)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.791009280177380e+01 | 1.900000000000000e-12 | -3.791009280177386e+01 | 7.903993228882091e-14 | -3.791009280177386e+01 | 1.350031197944190e-13 | PASS |
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Detailed information
Reference: -37.9100928017738, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2022a_serial | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_serial_min | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_serial | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| cmake_foss_2022a_full_serial | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2022a_ppc | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi_min | -3.791009280177395e+01 | -1.492139745096210e-13 | -7.853367079453739e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.791009280177395e+01 | -1.492139745096210e-13 | -7.853367079453739e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.791009280177394e+01 | -1.421085471520200e-13 | -7.479397218527370e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_mpi_opt | -3.791009280177394e+01 | -1.421085471520200e-13 | -7.479397218527370e-02 | PASS |
| spack_foss-2022a_mpi | -3.791009280177395e+01 | -1.492139745096210e-13 | -7.853367079453739e-02 | PASS |
| spack_foss-2023a_mpi | -3.791009280177395e+01 | -1.492139745096210e-13 | -7.853367079453739e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.791009280177380e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -3.791009280177387e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.791009280177395e+01 | -1.492139745096210e-13 | -7.853367079453739e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.791009280177393e+01 | -1.278976924368180e-13 | -6.731457496674634e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.791009280177390e+01 | -9.947598300641403e-14 | -5.235578052969159e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2023a_serial_opt | -3.791009280177379e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2023b_serial | -3.791009280177379e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_serial_omp | -3.791009280177389e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_intel-2023a_serial | -3.791009280177400e+01 | -1.989519660128281e-13 | -1.047115610593832e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.791009280177383e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.791009280177383e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_intel-2023a_impi | -3.791009280177374e+01 | 6.394884621840902e-14 | 3.365728748337317e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.791009280177373e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |