Match comparison for Born charge O ZZ w=0.1 (match type 17712)
Commits >
Commit a707423db2dcfe1920cae26cacaed48d94544399 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.328250000000000e-01 | 6.640000000000000e-06 | 1.328250000000000e-01 | 0.000000000000000e+00 | 1.328250000000000e-01 | 0.000000000000000e+00 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 0.132825, precision: 0.00000664| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_serial | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_full_mpi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_mpi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_opt | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_omp | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_valgrind | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_impi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss-2022a_mpi_omp | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_min | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_omp | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | 1.328250000000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |