Match comparison for Exchange energy (match type 29654)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.491549080000000e+00 | 5.390000000000000e-07 | -2.491541446666667e+00 | 1.648682976022064e-06 | -2.491537405000000e+00 | 4.364999999895147e-06 | FAIL |
Checks for this match
- MPI builders have different values.
- OpenMP builders have different values.
- 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: -2.49154908, precision: 0.000000539| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -2.491533040000000e+00 | 1.603999999977290e-05 | 2.975881261553414e+01 | FAIL |
| cmake_foss_2022a_full_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| cmake_foss_2022a_min_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_cuda_mpi_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| cmake_foss_2022a_min_mpi | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| cmake_foss_2022a_full_mpi | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_serial_min | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_mpi_min | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_mpi | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_mpi | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_mpi_min | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_mpi_debug | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_serial_min | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2022a_cuda_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_mpi_opt | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_serial_debug | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_serial_opt | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023b_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_serial_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_foss-2023a_mpi_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_intel-2023a_serial | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_intel-2022a_serial_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_intel-2023a_serial_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_intel-2023a_impi | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |
| spack_intel-2022a_impi_omp | -2.491541770000000e+00 | 7.309999999982608e-06 | 1.356215213354844e+01 | FAIL |