Match comparison for Born charge O ZZ w=0.0 (match type 22435)

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-6.243400000000000e-01 3.120000000000000e-04 -6.243400000000000e-01 0.000000000000000e+00 -6.243400000000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: -0.62434, precision: 0.000312
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-min] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2022a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-min: [foss2023b-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-opt-full: [foss2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023b-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-full: [foss2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_autotools: [intel2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2022a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-serial-debug: [foss2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_omp_autotools: [intel2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-opt-full: [foss2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_autotools: [intel2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2022a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-omp-full: [foss2023a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-ppc: [foss2022a-serial] -6.243400000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS