Match comparison for Total energy (match type 12944)
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.021960160000000e+00 | 1.010000000000000e-06 | 2.021960131333334e+00 | 2.319961681999834e-08 | 2.021960155000000e+00 | 3.500000000933312e-08 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 2.02196016, precision: 0.00000101| Run | Value | Difference | Relative difference | Status |
| intel_autotools: [intel2023a-serial] | 2.021960190000000e+00 | 3.000000026176508e-08 | 2.970297055620305e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.021960170000000e+00 | 9.999999939225290e-09 | 9.900990038836920e-03 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | 2.021960190000000e+00 | 3.000000026176508e-08 | 2.970297055620305e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.021960160000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | 2.021960170000000e+00 | 9.999999939225290e-09 | 9.900990038836920e-03 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | 2.021960180000000e+00 | 2.000000032253979e-08 | 1.980198051736613e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | 2.021960120000000e+00 | -3.999999975690116e-08 | -3.960396015534768e-02 | PASS |