Match comparison for Hartree energy (match type 22022)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 5.515967250000000e-01 | 1.000000000000000e-07 | 5.515967170370369e-01 | 1.047565604114035e-08 | 5.515966999999999e-01 | 2.000000004498403e-08 | PASS |
Checks for this match
- GPU builders have different values. Intel® builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.551596725, precision: 0.0000001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| cmake_foss_2022a_full_mpi | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| cmake_foss_2022a_full_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| cmake_foss_2022a_min_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| cmake_foss_2022a_min_mpi | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2022a_cuda_serial | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |
| spack_foss-2022a_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2022a_serial_min | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2022a_mpi_min | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2022a_mpi | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | 5.515966800000000e-01 | -4.500000005958071e-08 | -4.500000005958071e-01 | PASS |
| spack_foss-2023a_mpi_min | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_mpi | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_serial_min | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_mpi_opt | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_serial_opt | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_serial_debug | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023b_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_serial_omp | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_mpi_omp | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_intel-2023a_serial | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_intel-2022a_serial_omp | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_intel-2023a_impi | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_intel-2023a_serial_omp | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_intel-2022a_impi_omp | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |
| spack_foss-2023a_mpi_debug | 5.515967200000000e-01 | -4.999999969612645e-09 | -4.999999969612645e-02 | PASS |