Match comparison for Born charge O ZZ w=0.0 (match type 17708)
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.299400000000000e-02 | 1.650000000000000e-05 | -3.299400000000000e-02 | 0.000000000000000e+00 | -3.299400000000000e-02 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.032994, precision: 0.0000165| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_ppc | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_valgrind | -3.299400000000000e-02 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |