Match comparison for Exchange energy (match type 25789)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.132496871000000e+01 | 9.870000000000000e-06 | -3.132496935111111e+01 | 2.060804243730878e-08 | -3.132496935500000e+01 | 2.500000029215244e-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: -31.32496871, precision: 0.00000987| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023a_serial_min | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2022a_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023a_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| cmake_foss_2022a_full_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2022a_ppc | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2023a_mpi_min | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2022a_mpi_min | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2023a_serial_debug | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023a_mpi_opt | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2022a_mpi | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2023a_mpi | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2022a_cuda_serial | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.132496938000000e+01 | -6.699999985926297e-07 | -6.788247199520057e-02 | PASS |
| spack_foss-2023a_mpi_debug | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2023a_mpi_omp | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| cmake_foss_2022a_min_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023a_serial_opt | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023b_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_foss-2023a_serial_omp | -3.132496936000000e+01 | -6.500000004905360e-07 | -6.585612973561661e-02 | PASS |
| spack_intel-2023a_serial | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_intel-2022a_serial_omp | -3.132496938000000e+01 | -6.699999985926297e-07 | -6.788247199520057e-02 | PASS |
| spack_intel-2023a_serial_omp | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |
| spack_intel-2023a_impi | -3.132496937000000e+01 | -6.600000013179397e-07 | -6.686930104538395e-02 | PASS |
| spack_intel-2022a_impi_omp | -3.132496933000000e+01 | -6.199999980083248e-07 | -6.281661580631458e-02 | PASS |