Match comparison for Hubbard energy (match type 28353)
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
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 | -2.473405398148148e+00 | 3.884477191837211e-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 |
| spack_foss-2022a_serial_min | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_ppc | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_debug | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -2.473405400000000e+00 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | -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 |
| 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 |
| spack_intel-2023a_serial | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| spack_intel-2022a_serial_omp | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| spack_intel-2022a_impi_omp | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| spack_intel-2023a_serial_omp | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |
| spack_intel-2023a_impi | -2.473405390000000e+00 | 9.999999939225290e-09 | 8.064516080020396e-03 | PASS |