Match comparison for Born charge O ZZ w=-0.2 (match type 17716)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | -1.699756516129032e+00 | 4.599235334346960e-06 | -1.699753500000000e+00 | 5.499999999991623e-06 | PASS |
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Detailed information
Reference: -1.699754, precision: 0.0000085| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_min_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_min_autotools: [foss2023b-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_autotools: [foss2022a-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_cmake: [foss2022a-serial, foss-min] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| intel_autotools: [intel2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_autotools: [foss2023b-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_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_cmake_mpi_min: [foss2022a-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_mpi_min_autotools: [foss2022a-mpi] | -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_cmake_mpi_min: [foss2023a-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_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_ppc_autotools: [foss2022a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_mpi_debug_autotools: [foss2023a-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_valgrind_autotools: [foss2023a-serial] | -1.699759000000000e+00 | -5.000000000032756e-06 | -5.882352941215007e-01 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -1.699748000000000e+00 | 5.999999999950489e-06 | 7.058823529353517e-01 | PASS |