Match comparison for Exchange energy (match type 22512)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.298520122000000e+01 | 6.490000000000001e-08 | -1.298520117192308e+01 | 9.615384727750937e-09 | -1.298520119500000e+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: -12.98520122, precision: 0.0000000649| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial_min | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| foss-2022a_ppc | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| foss-2022a_opt | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022b | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022a | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| foss-2022a_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022a_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022b_impi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022a_impi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_fosscuda-2022a | -1.298520122000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| foss-2022a_mpi_omp | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022a | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022a_debug | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| intel-2022a_omp_impi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022a_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.298520117000000e+01 | 5.000000058430487e-08 | 7.704160336564695e-01 | PASS |