Match comparison for Born charge diff w=0.0 (match type 17690)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
8.803999999999999e-03 4.400000000000000e-05 8.804999999999999e-03 1.734723475976807e-18 8.805000000000000e-03 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.008804, precision: 0.000044
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
cmake_foss_2022a_full_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_autotools: [foss2022a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_autotools: [foss2023b-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_serial_min 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_serial_min 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_ppc 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
cmake_foss_2022a_min_mpi 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_debug_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_mpi_min 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_mpi_min 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
cmake_foss_2022a_full_mpi 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
cmake_foss_2022a_min_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_mpi_opt 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_serial_debug 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_mpi 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_mpi 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_min_autotools: [foss2023b-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_mpi_debug 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_mpi_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_min_autotools: [foss2022a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_cuda_mpi_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_intel_autotools: [intel2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_serial_opt 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_serial_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023b_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_intel-2023a_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_intel-2022a_serial_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_intel-2023a_serial_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_intel-2023a_impi 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_intel-2022a_impi_omp 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2022a_cuda_serial 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
spack_foss-2023a_valgrind 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS
GCI_foss_valgrind_autotools: [foss2023a-serial] 8.805000000000000e-03 1.000000000001000e-06 2.272727272729546e-02 PASS