Match comparison for Born charge O ZZ w=0.0 (match type 17689)

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.217000000000000e-02 1.610000000000000e-04 -3.217199999999999e-02 6.938893903907228e-18 -3.217200000000000e-02 0.000000000000000e+00 PASS
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Detailed information

Reference: -0.03217, precision: 0.000161
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_min_autotools: [foss2022a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_autotools: [foss2022a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_autotools: [foss2023b-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel_autotools: [intel2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss_valgrind_autotools: [foss2023a-serial] -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS