Match comparison for Exchange energy (match type 28371)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -7.519434432999999e+01 | 9.500000000000000e-07 | -7.519434432500000e+01 | 1.170113971679648e-07 | -7.519434443999999e+01 | 1.800000006824121e-07 | 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: -75.19434432999999, precision: 0.00000095| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| cmake_foss_2022a_full_mpi | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| cmake_foss_2022a_min_serial | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| cmake_foss_2022a_min_mpi | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2022a_serial_min | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2022a_serial | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2022a_mpi_min | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2022a_mpi | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_mpi_min | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_mpi | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_serial | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_mpi_opt | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_serial_min | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_serial_opt | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_foss-2023a_serial_omp | -7.519434427000000e+01 | 5.999999075356754e-08 | 6.315788500375531e-02 | PASS |
| spack_foss-2023a_mpi_omp | -7.519434427000000e+01 | 5.999999075356754e-08 | 6.315788500375531e-02 | PASS |
| spack_foss-2023b_serial | -7.519434425999999e+01 | 6.999999868639861e-08 | 7.368420914357748e-02 | PASS |
| spack_intel-2022a_serial_omp | -7.519434449000001e+01 | -1.600000132384594e-07 | -1.684210665667993e-01 | PASS |
| spack_intel-2023a_serial | -7.519434432000000e+01 | 9.999993721976352e-09 | 1.052630918102774e-02 | PASS |
| spack_intel-2023a_serial_omp | -7.519434450000000e+01 | -1.700000069604357e-07 | -1.789473757478271e-01 | PASS |
| spack_intel-2023a_impi | -7.519434432000000e+01 | 9.999993721976352e-09 | 1.052630918102774e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -7.519434462000000e+01 | -2.900000026784255e-07 | -3.052631607141321e-01 | PASS |
| spack_foss-2022a_cuda_serial | -7.519434462000000e+01 | -2.900000026784255e-07 | -3.052631607141321e-01 | PASS |
| spack_intel-2022a_impi_omp | -7.519434449000001e+01 | -1.600000132384594e-07 | -1.684210665667993e-01 | PASS |