Match comparison for Hartree energy (match type 28619)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.109311722100000e+02 | 5.550000000000000e-08 | 1.109311722116667e+02 | 3.726777622819129e-09 | 1.109311722150000e+02 | 4.999996860988176e-09 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 110.93117221, precision: 0.0000000555| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| spack_foss-2022a_mpi | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_min | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| spack_foss-2023b_serial | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial | 1.109311722200000e+02 | 9.999993721976352e-09 | 1.801800670626370e-01 | PASS |
| spack_intel-2022a_serial_omp | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 1.109311722100000e+02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |