Match comparison for Exchange energy (match type 21765)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.016296174000000e+01 | 4.620000000000000e-06 | -1.016296183642857e+01 | 3.476781586511205e-07 | -1.016296241500000e+01 | 6.749999998945100e-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: -10.16296174, precision: 0.00000462| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -1.016296309000000e+01 | -1.349999999789020e-06 | -2.922077921621256e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.016296309000000e+01 | -1.349999999789020e-06 | -2.922077921621256e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_valgrind | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -1.016296174000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |