Match comparison for Hartree energy (match type 28510)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.641776690000000e+01 | 8.690000000000000e-06 | 4.641776931687500e+01 | 1.456269716135713e-06 | 4.641776994000000e+01 | 2.320000000111122e-06 | PASS |
Checks for this match
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Detailed information
Reference: 46.417766900000004, precision: 0.00000869| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 4.641777091000000e+01 | 4.009999997833802e-06 | 4.614499422133259e-01 | PASS |
| spack_foss-2023a_serial_min | 4.641776779000000e+01 | 8.899999954792293e-07 | 1.024165702507744e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.641777091000000e+01 | 4.009999997833802e-06 | 4.614499422133259e-01 | PASS |
| spack_foss-2022a_serial | 4.641777091000000e+01 | 4.009999997833802e-06 | 4.614499422133259e-01 | PASS |
| spack_foss-2022a_ppc | 4.641776989000000e+01 | 2.989999998703752e-06 | 3.440736477219507e-01 | PASS |
| spack_foss-2022a_mpi_min | 4.641776762000000e+01 | 7.199999956242209e-07 | 8.285385450221185e-02 | PASS |
| spack_foss-2023a_mpi_min | 4.641777226000000e+01 | 5.359999995846465e-06 | 6.168009201204218e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.641777091000000e+01 | 4.009999997833802e-06 | 4.614499422133259e-01 | PASS |
| spack_foss-2022a_mpi_opt | 4.641776762000000e+01 | 7.199999956242209e-07 | 8.285385450221185e-02 | PASS |
| spack_intel-2022a_serial_omp | 4.641776884000000e+01 | 1.939999997091491e-06 | 2.232451089863625e-01 | PASS |
| spack_foss-2022a_mpi | 4.641776762000000e+01 | 7.199999956242209e-07 | 8.285385450221185e-02 | PASS |
| spack_foss-2022a_cuda_serial | 4.641776903000000e+01 | 2.129999998601306e-06 | 2.451093208977338e-01 | PASS |
| spack_intel-2023a_impi | 4.641776880000000e+01 | 1.899999993781876e-06 | 2.186421166607452e-01 | PASS |
| spack_foss-2022a_mpi_debug | 4.641776762000000e+01 | 7.199999956242209e-07 | 8.285385450221185e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 4.641776957000000e+01 | 2.669999993543115e-06 | 3.072497115699787e-01 | PASS |
| spack_intel-2022a_impi_omp | 4.641776877000000e+01 | 1.869999998405092e-06 | 2.151898732341878e-01 | PASS |