Match comparison for Hartree energy (match type 12947)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Input 03-sodium_chain.01-ground_state.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.551474860000000e+00 | 2.280000000000000e-07 | -4.551474985666667e+00 | 3.190437089461432e-08 | -4.551474949999999e+00 | 6.000000007944095e-08 | PASS |
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Detailed information
Reference: -4.55147486, precision: 0.000000228| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -4.551475010000000e+00 | -1.499999999765578e-07 | -6.578947367392884e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-min-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-min-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -4.551474920000000e+00 | -6.000000052353016e-08 | -2.631578970330270e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -4.551474920000000e+00 | -6.000000052353016e-08 | -2.631578970330270e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -4.551474960000000e+00 | -1.000000002804313e-07 | -4.385964924580321e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -4.551475010000000e+00 | -1.499999999765578e-07 | -6.578947367392884e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -4.551475000000000e+00 | -1.400000000373325e-07 | -6.140350878830372e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -4.551474920000000e+00 | -6.000000052353016e-08 | -2.631578970330270e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -4.551474890000000e+00 | -2.999999981767587e-08 | -1.315789465687538e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -4.551474940000000e+00 | -8.000000040198074e-08 | -3.508771947455296e-01 | PASS |