Match comparison for Hubbard energy (match type 25823)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.827289200000000e-01 | 3.830000000000000e-05 | 1.826944937037037e-01 | 1.630757185679262e-07 | 1.826944500000000e-01 | 3.999999999976245e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.18272892, precision: 0.0000383| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| spack_foss-2022a_serial_min | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| foss-2022a_ppc | 1.826945300000000e-01 | -3.438999999999526e-05 | -8.979112271539231e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| spack_foss-2022a_serial | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| foss-2022a_opt | 1.826944000000000e-01 | -3.451999999998234e-05 | -9.013054830282595e-01 | PASS |
| intel-2022b | 1.826944400000000e-01 | -3.447999999997564e-05 | -9.002610966051081e-01 | PASS |
| intel-2022a | 1.826944400000000e-01 | -3.447999999997564e-05 | -9.002610966051081e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.826945500000000e-01 | -3.436999999997803e-05 | -8.973890339419850e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.826946100000000e-01 | -3.430999999998186e-05 | -8.958224543076202e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| foss-2022a_omp | 1.826942700000000e-01 | -3.464999999999718e-05 | -9.046997389033207e-01 | PASS |
| intel-2022a_omp | 1.826945700000000e-01 | -3.434999999998856e-05 | -8.968668407307716e-01 | PASS |
| intel-2022b_impi | 1.826944400000000e-01 | -3.447999999997564e-05 | -9.002610966051081e-01 | PASS |
| intel-2022a_impi | 1.826944400000000e-01 | -3.447999999997564e-05 | -9.002610966051081e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.826948500000000e-01 | -3.406999999999716e-05 | -8.895561357701607e-01 | PASS |
| eb_fosscuda-2022a | 1.826947300000000e-01 | -3.418999999998951e-05 | -8.926892950388905e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.826946000000000e-01 | -3.431999999997659e-05 | -8.960835509132269e-01 | PASS |
| foss-2022a_mpi_omp | 1.826945300000000e-01 | -3.438999999999526e-05 | -8.979112271539231e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.826946100000000e-01 | -3.430999999998186e-05 | -8.958224543076202e-01 | PASS |
| eb_foss-2022a | 1.826944000000000e-01 | -3.451999999998234e-05 | -9.013054830282595e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.826940500000000e-01 | -3.486999999999241e-05 | -9.104438642295667e-01 | PASS |
| eb_foss-2022a_debug | 1.826944000000000e-01 | -3.451999999998234e-05 | -9.013054830282595e-01 | PASS |
| intel-2022a_omp_impi | 1.826945300000000e-01 | -3.438999999999526e-05 | -8.979112271539231e-01 | PASS |
| eb_foss-2022a_mpi | 1.826944000000000e-01 | -3.451999999998234e-05 | -9.013054830282595e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.826941400000000e-01 | -3.477999999998427e-05 | -9.080939947776571e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.826944000000000e-01 | -3.451999999998234e-05 | -9.013054830282595e-01 | PASS |