Match comparison for Energy [step 20] (match type 14084)
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
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 | 5.790214889958144e-14 | -3.790917483206934e+01 | 1.527666881884215e-13 | PASS |
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Detailed information
Reference: -37.9091748320694, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss-serial-min: [foss2022a-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-serial-min: [foss2023a-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-serial-min: [foss2023b-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -3.790917483206918e+01 | 2.131628207280301e-13 | 1.121909582779106e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -3.790917483206935e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.790917483206940e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| foss-serial-debug: [foss2023a-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.790917483206940e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -3.790917483206947e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.790917483206944e+01 | -4.263256414560601e-14 | -2.243819165558211e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.790917483206931e+01 | 8.526512829121202e-14 | 4.487638331116423e-02 | PASS |
| foss-mpi-min: [foss2022a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss-mpi-debug: [foss2023a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss-mpi-min: [foss2023a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -3.790917483206945e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.790917483206947e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| foss-omp-full: [foss2023a-serial] | -3.790917483206949e+01 | -9.237055564881302e-14 | -4.861608192042791e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.790917483206947e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.790917483206934e+01 | 5.684341886080801e-14 | 2.991758887410948e-02 | PASS |
| foss-mpi-omp-full: [foss2023a-mpi] | -3.790917483206940e+01 | -7.105427357601002e-15 | -3.739698609263685e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.790917483206945e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |