Match comparison for Born charge O YY w=-0.2 (match type 17715)
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 |
| -6.263300000000001e-01 | 3.130000000000000e-04 | -6.263296129032258e-01 | 4.870860926121194e-07 | -6.263295000000000e-01 | 5.000000000143778e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.62633, precision: 0.000313| Run | Value | Difference | Relative difference | Status |
| foss_min_autotools: [foss2022a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_min_autotools: [foss2023b-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_autotools: [foss2022a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-min] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel_autotools: [intel2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_autotools: [foss2023b-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_mpi_min_autotools: [foss2023a-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake_mpi_min: [foss2022a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_opt_autotools: [foss2023a-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_mpi_min_autotools: [foss2022a-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_mpi_autotools: [foss2023a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_autotools: [foss2022a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_debug_autotools: [foss2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake_mpi_min: [foss2023a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_debug_autotools: [foss2023a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_mpi_omp_autotools: [foss2023a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| intel_mpi_omp_autotools: [intel2022a-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_valgrind_autotools: [foss2023a-serial] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -6.263300000000001e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |
| intel_mpi_autotools: [intel2023a-mpi] | -6.263290000000000e-01 | 1.000000000028756e-06 | 3.194888179005609e-03 | PASS |