Match comparison for Hartree energy (match type 12967)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 03-sodium_chain.03-ground_state_disp.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.551473590000000e+00 | 2.280000000000000e-07 | -4.551473598666666e+00 | 6.182412401301751e-09 | -4.551473595000000e+00 | 1.500000035292715e-08 | PASS |
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Detailed information
Reference: -4.55147359, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -4.551473590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.551473610000000e+00 | -2.000000076662900e-08 | -8.771930160802192e-02 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.551473580000000e+00 | 9.999999939225290e-09 | 4.385964885625127e-02 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.551473590000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.551473610000000e+00 | -2.000000076662900e-08 | -8.771930160802192e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.551473600000000e+00 | -9.999999939225290e-09 | -4.385964885625127e-02 | PASS |