Match comparison for Exchange energy (match type 28155)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -8.817965120000000e+00 | 4.410000000000000e-07 | -8.817965133333333e+00 | 1.105541639162146e-08 | -8.817965149999999e+00 | 2.000000076662900e-08 | 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: -8.81796512, precision: 0.000000441| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| cmake_foss_2022a_full_mpi | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| cmake_foss_2022a_min_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| cmake_foss_2022a_min_mpi | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2022a_serial_min | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2022a_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2022a_mpi_min | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2022a_mpi | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_mpi_min | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_mpi | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_mpi_opt | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_serial_min | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_serial_opt | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_serial_omp | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023a_mpi_omp | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2023b_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_intel-2022a_serial_omp | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_intel-2023a_serial | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_intel-2023a_serial_omp | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_intel-2023a_impi | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -8.817965170000001e+00 | -5.000000058430487e-08 | -1.133786861322106e-01 | PASS |
| spack_foss-2022a_cuda_serial | -8.817965170000001e+00 | -5.000000058430487e-08 | -1.133786861322106e-01 | PASS |
| spack_intel-2022a_impi_omp | -8.817965129999999e+00 | -9.999999051046871e-09 | -2.267573480963009e-02 | PASS |