Match comparison for Born charge O ZZ w=-0.2 (match type 17716)
Commits >
Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 >
Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.699754000000000e+00 | 8.500000000000000e-06 | -1.699753500000000e+00 | 5.499999999991623e-06 | -1.699753500000000e+00 | 5.499999999991623e-06 | PASS |
Checks for this match
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Detailed information
Reference: -1.699754, precision: 0.0000085| Run | Value | Difference | Relative difference | Status |
| spack_foss-2023a_serial_min | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2023a_serial_opt | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_serial | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2023b_serial | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_intel-2023a_serial | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2022a_ppc | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_serial_omp | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2023a_serial_debug | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2023a_mpi_opt | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_intel-2023a_serial_omp | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_intel-2023a_impi | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_mpi_omp | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2022a_serial_min | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2022a_serial | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2022a_mpi | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_intel-2022a_impi_omp | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_mpi | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_mpi_debug | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| spack_foss-2023a_valgrind | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |