Match comparison for Hartree energy (match type 17218)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.953923500000000e-01 | 5.280000000000000e-07 | 2.953927314285715e-01 | 2.472378017446338e-07 | 2.953923200000000e-01 | 4.799999999971494e-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: 0.29539235, precision: 0.000000528| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_serial_min | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_serial_min | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_ppc | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_mpi_min | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_mpi_min | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_serial_debug | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_mpi_opt | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_mpi | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_mpi | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2022a_cuda_serial | 2.953918400000000e-01 | -5.100000000091143e-07 | -9.659090909263529e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 2.953918400000000e-01 | -5.100000000091143e-07 | -9.659090909263529e-01 | PASS |
| spack_foss-2023a_mpi_debug | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_mpi_omp | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_serial_opt | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023b_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_serial_omp | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_intel-2023a_serial | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_intel-2022a_serial_omp | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_intel-2023a_serial_omp | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_intel-2023a_impi | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_intel-2022a_impi_omp | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |
| spack_foss-2023a_valgrind | 2.953928000000000e-01 | 4.499999999851845e-07 | 8.522727272446676e-01 | PASS |