Match comparison for Energy [step 20] (match type 14084)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | 6.214710767173379e-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 |
| foss_min_autotools: [foss2022a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.790917483206919e+01 | 2.060573933704291e-13 | 1.084512596686469e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.790917483206942e+01 | -2.131628207280301e-14 | -1.121909582779106e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.790917483206949e+01 | -9.237055564881302e-14 | -4.861608192042791e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.790917483206952e+01 | -1.278976924368180e-13 | -6.731457496674634e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.790917483206949e+01 | -9.237055564881302e-14 | -4.861608192042791e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.790917483206939e+01 | 7.105427357601002e-15 | 3.739698609263685e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.790917483206935e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.790917483206943e+01 | -3.552713678800501e-14 | -1.869849304631842e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.790917483206932e+01 | 7.815970093361102e-14 | 4.113668470190054e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.790917483206943e+01 | -2.842170943040401e-14 | -1.495879443705474e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.790917483206930e+01 | 9.947598300641403e-14 | 5.235578052969159e-02 | PASS |