Match comparison for Born charge O ZZ w=-0.2 (match type 17716)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
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 | -1.699757225806452e+00 | 4.045783766474650e-06 | -1.699753500000000e+00 | 5.499999999991623e-06 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -1.699754, precision: 0.0000085| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-min] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_min_autotools: [foss2023b-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_min_autotools: [foss2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_autotools: [foss2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_autotools: [foss2023b-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |