Match comparison for Hubbard energy (match type 28353)
Commits >
Commit 82f7aa8a8814f63eea2470b6e96d2be6e7b330f6 >
Input 09-basis_from_states.03-intersite.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.473405400000000e+00 | 1.240000000000000e-06 | -2.473405397777778e+00 | 4.157397071149038e-09 | -2.473405395000000e+00 | 4.999999969612645e-09 | PASS |
Checks for this match
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Intel® builders have different values.
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Detailed information
Reference: -2.4734054, precision: 0.00000124| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| intel-2022a | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| cmake_foss_2022a_min_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| intel-2022b_impi | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| intel-2022a_impi | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| eb_foss-2022a_debug | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |