Match comparison for Born charge 1 ZZ w=0.0 (match type 23039)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.828300000000000e-02 | 9.140000000000001e-06 | -1.828314814814815e-02 | 3.552467795050011e-07 | -1.828350000000000e-02 | 5.000000000005000e-07 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.018283, precision: 0.00000914| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -1.828400000000000e-02 | -1.000000000001000e-06 | -1.094091903721007e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -1.828400000000000e-02 | -1.000000000001000e-06 | -1.094091903721007e-01 | PASS |
| spack_foss-2022a_serial | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -1.828400000000000e-02 | -1.000000000001000e-06 | -1.094091903721007e-01 | PASS |
| intel-2022a_impi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -1.828400000000000e-02 | -1.000000000001000e-06 | -1.094091903721007e-01 | PASS |
| intel-2022a_omp_impi | -1.828300000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |