Match comparison for Energy [step 15] (match type 14083)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -3.790933797735692e+01 | 5.014237207313201e-14 | -3.790933797735693e+01 | 9.947598300641403e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -37.9093379773569, precision: 0.0000000000019| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023b-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2022a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_autotools: [intel2023a-serial] | -3.790933797735683e+01 | 7.105427357601002e-14 | 3.739698609263685e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -3.790933797735696e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -3.790933797735703e+01 | -1.278976924368180e-13 | -6.731457496674634e-02 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -3.790933797735698e+01 | -7.815970093361102e-14 | -4.113668470190054e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -3.790933797735696e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -3.790933797735696e+01 | -6.394884621840902e-14 | -3.365728748337317e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -3.790933797735697e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -3.790933797735697e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -3.790933797735685e+01 | 4.973799150320701e-14 | 2.617789026484580e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -3.790933797735690e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -3.790933797735698e+01 | -7.815970093361102e-14 | -4.113668470190054e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -3.790933797735696e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -3.790933797735685e+01 | 4.973799150320701e-14 | 2.617789026484580e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -3.790933797735696e+01 | -5.684341886080801e-14 | -2.991758887410948e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -3.790933797735686e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -3.790933797735697e+01 | -7.105427357601002e-14 | -3.739698609263685e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -3.790933797735700e+01 | -9.947598300641403e-14 | -5.235578052969159e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -3.790933797735686e+01 | 3.552713678800501e-14 | 1.869849304631842e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -3.790933797735688e+01 | 1.421085471520200e-14 | 7.479397218527370e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.790933797735695e+01 | -4.973799150320701e-14 | -2.617789026484580e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -3.790933797735686e+01 | 4.263256414560601e-14 | 2.243819165558211e-02 | PASS |