Match comparison for Exchange energy (match type 25121)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.748179225000000e+02 | 1.600000000000000e-07 | -1.748179225296428e+02 | 8.282866039651063e-08 | -1.748179223750000e+02 | 1.949999983708040e-07 | FAIL |
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: -174.8179225, precision: 0.00000016| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -1.748179224400000e+02 | 6.000001917527698e-08 | 3.750001198454811e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.748179224200000e+02 | 8.000000661922968e-08 | 5.000000413701855e-01 | PASS |
| spack_foss-2022a_mpi | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2022a_serial_min | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2022a_serial | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_mpi | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.748179221800000e+02 | 3.199999980552093e-07 | 1.999999987845058e+00 | FAIL |
| spack_foss-2023a_serial | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_serial_min | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_intel-2023a_impi | -1.748179225400000e+02 | -4.000000330961484e-08 | -2.500000206850927e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.748179225400000e+02 | -4.000000330961484e-08 | -2.500000206850927e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_foss-2023b_serial | -1.748179225700000e+02 | -6.999999868639861e-08 | -4.374999917899913e-01 | PASS |
| spack_intel-2023a_serial | -1.748179225400000e+02 | -4.000000330961484e-08 | -2.500000206850927e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.748179224500000e+02 | 5.000001124244591e-08 | 3.125000702652869e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.748179225600000e+02 | -5.999999075356754e-08 | -3.749999422097972e-01 | PASS |
| spack_foss-2023a_valgrind | -1.748179224400000e+02 | 6.000001917527698e-08 | 3.750001198454811e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.748179224600000e+02 | 4.000000330961484e-08 | 2.500000206850927e-01 | PASS |