Match comparison for Hartree energy (match type 30281)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.808168730000000e+00 | 2.750000000000000e-07 | 2.808168583214286e+00 | 1.711318116142313e-07 | 2.808168730000000e+00 | 2.500000000349445e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 2.8081687300000002, precision: 0.000000275| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_serial | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_serial_min | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023b_serial | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2022a_serial | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2022a_ppc | 2.808168880000000e+00 | 1.499999999765578e-07 | 5.454545453693009e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2022a_mpi | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_mpi | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| cmake_foss_2022a_full_serial | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_intel-2023a_serial | 2.808168730000000e+00 | -4.440892098500626e-16 | -1.614869854000228e-09 | PASS |
| spack_intel-2022a_impi_omp | 2.808168980000000e+00 | 2.499999998128999e-07 | 9.090909084105450e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.808168980000000e+00 | 2.499999998128999e-07 | 9.090909084105450e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.808168980000000e+00 | 2.499999998128999e-07 | 9.090909084105450e-01 | PASS |
| spack_intel-2023a_impi | 2.808168730000000e+00 | -4.440892098500626e-16 | -1.614869854000228e-09 | PASS |
| spack_foss-2023a_mpi_opt | 2.808168480000000e+00 | -2.500000002569891e-07 | -9.090909100254149e-01 | PASS |
| spack_foss-2023a_valgrind | 2.808168690000000e+00 | -4.000000020099037e-08 | -1.454545461854195e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.808168620000000e+00 | -1.100000002196566e-07 | -4.000000007987513e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.808168620000000e+00 | -1.100000002196566e-07 | -4.000000007987513e-01 | PASS |