Match comparison for Energy [step 15] (match type 14083)
Commits >
Commit 17b096911440bfe83ad69af07734b73ecc024f80 >
Input 05-time_propagation.06-td_fast_md.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.790933797735690e+01 | 1.900000000000000e-12 | -3.790933797735693e+01 | 5.962101704153499e-14 | -3.790933797735693e+01 | 1.065814103640150e-13 | PASS |
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Detailed information
Reference: -37.9093379773569, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_foss-2023a_serial | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -3.790933797735686e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.790933797735701e+01 | -1.136868377216160e-13 | -5.983517774821896e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -3.790933797735688e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2023a_serial_omp | -3.790933797735704e+01 | -1.421085471520200e-13 | -7.479397218527370e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.790933797735698e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790933797735698e+01 | -8.526512829121202e-14 | -4.487638331116423e-02 | PASS |
| spack_foss-2023a_mpi | -3.790933797735701e+01 | -1.136868377216160e-13 | -5.983517774821896e-02 | PASS |
| spack_intel-2023a_impi | -3.790933797735688e+01 | 2.131628207280301e-14 | 1.121909582779106e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.790933797735701e+01 | -1.136868377216160e-13 | -5.983517774821896e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.790933797735697e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.790933797735700e+01 | -9.947598300641403e-14 | -5.235578052969159e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| cmake_foss_2022a_full_serial | -3.790933797735689e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| cmake_foss_2022a_min_mpi | -3.790933797735695e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2022a_serial | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -3.790933797735701e+01 | -1.136868377216160e-13 | -5.983517774821896e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.790933797735687e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| spack_intel-2023a_serial | -3.790933797735683e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |
| spack_foss-2022a_mpi | -3.790933797735701e+01 | -1.136868377216160e-13 | -5.983517774821896e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.790933797735688e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| spack_foss-2022a_cuda_serial | -3.790933797735691e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |