Match comparison for Hartree energy (match type 23954)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.832466300000000e-01 | 2.920000000000000e-07 | 5.832466353846155e-01 | 1.946017022778295e-08 | 5.832466750000000e-01 | 5.499999999880600e-08 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.58324663, precision: 0.000000292| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 5.832466400000000e-01 | 1.000000005024759e-08 | 3.424657551454655e-02 | PASS |
| spack_foss-2022a_serial_min | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi | 5.832466400000000e-01 | 1.000000005024759e-08 | 3.424657551454655e-02 | PASS |
| spack_foss-2023a_mpi | 5.832466400000000e-01 | 1.000000005024759e-08 | 3.424657551454655e-02 | PASS |
| spack_foss-2023a_mpi_min | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | 5.832466400000000e-01 | 1.000000005024759e-08 | 3.424657551454655e-02 | PASS |
| spack_foss-2023a_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_min | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | 5.832466400000000e-01 | 1.000000005024759e-08 | 3.424657551454655e-02 | PASS |
| spack_foss-2023a_serial_debug | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_opt | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023b_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_serial_omp | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_omp | 5.832466200000000e-01 | -9.999999939225290e-09 | -3.424657513433318e-02 | PASS |
| spack_intel-2023a_serial | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_impi | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_impi_omp | 5.832467300000000e-01 | 1.000000000583867e-07 | 3.424657536246120e-01 | PASS |
| spack_foss-2023a_valgrind | 5.832466300000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |