Match comparison for Born charge O YY w=-0.2 (match type 17715)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -6.263300000000001e-01 | 3.130000000000000e-04 | -6.263293214285713e-01 | 4.670248868213590e-07 | -6.263295000000000e-01 | 5.000000000143778e-07 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -0.62633, precision: 0.000313| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_serial_min | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss-2022a_ppc | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_opt | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss-2022a_opt | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel-2022b | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel-2022a | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_serial_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| cmake_foss_2022a_full_mpi | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_serial_debug | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss-2022a_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel-2022a_omp | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022b_impi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel-2022a_impi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_fosscuda-2022a | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| cmake_foss_2022a_min_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss-2022a_mpi_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| cmake_foss_2022a_min_mpi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| eb_foss-2022a | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022b_libxc6 | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel-2022a_omp_impi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| eb_foss-2022a_mpi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_mpi_debug | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| eb_foss-2022a_valgrind | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |