Match comparison for Energy [step 20] (match type 14084)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
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 | -3.790917483206943e+01 | 6.165623638521485e-14 | -3.790917483206935e+01 | 1.669775429036235e-13 | PASS |
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Detailed information
Reference: -37.9091748320694, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| spack_foss-2022a_serial | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2022a_serial_min | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2022a_ppc | -3.790917483206935e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| spack_foss-2023a_serial | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2023b_serial | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2022a_mpi_min | -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_serial_omp | -3.790917483206952e+01 | -1.278976924368180e-13 | -6.731457496674634e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-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_serial_debug | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-min] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -3.790917483206919e+01 | 2.060573933704291e-13 | 1.084512596686469e-01 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -3.790917483206952e+01 | -1.278976924368180e-13 | -6.731457496674634e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -3.790917483206935e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| GCI_foss_min_autotools: [foss2022a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_min_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_min_autotools: [foss2023b-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| GCI_foss_debug_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2022a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| GCI_foss_mpi_autotools: [foss2023a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| GCI_foss_mpi_omp_autotools: [foss2023a-mpi] | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| GCI_foss_mpi_debug_autotools: [foss2023a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.790917483206931e+01 | 8.526512829121202e-14 | 4.487638331116423e-02 | PASS |
| spack_intel-2023a_serial | -3.790917483206919e+01 | 2.060573933704291e-13 | 1.084512596686469e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_intel-2023a_serial_omp | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| spack_intel-2023a_impi | -3.790917483206937e+01 | 2.842170943040401e-14 | 1.495879443705474e-02 | PASS |
| GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| GCI_foss_mpi_opt_autotools: [foss2023a-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2022a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| GCI_foss_mpi_min_autotools: [foss2023a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.790917483206941e+01 | -1.421085471520200e-14 | -7.479397218527370e-03 | PASS |
| GCI_intel_mpi_autotools: [intel2023a-mpi] | -3.790917483206930e+01 | 9.947598300641403e-14 | 5.235578052969159e-02 | PASS |
| GCI_intel_mpi_omp_autotools: [intel2022a-mpi] | -3.790917483206932e+01 | 7.815970093361102e-14 | 4.113668470190054e-02 | PASS |
| GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |