Match comparison for Born charge O YY w=-0.2 (match type 17715)
Commits >
Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 >
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 | -6.263292222222221e-01 | 4.157397096535039e-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 |
| spack_foss-2023a_serial_min | -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 |
| spack_foss-2022a_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_serial_opt | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023b_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_ppc | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_mpi_min | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_mpi_min | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_serial_debug | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_serial_omp | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2022a_cuda_serial | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_opt | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_mpi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_foss-2023a_mpi_debug | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_mpi_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| cmake_foss_2022a_min_serial | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| cmake_foss_2022a_full_serial | -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 |
| cmake_foss_2022a_full_mpi | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2022a_serial_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_intel-2022a_impi_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_intel-2023a_serial_omp | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_intel-2023a_impi | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| spack_foss-2023a_valgrind | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |