Match comparison for Born charge diff w=0.0 (match type 22436)

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
2.902100000000001e-02 1.450000000000000e-05 2.902100000000000e-02 0.000000000000000e+00 2.902100000000000e-02 0.000000000000000e+00 PASS
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Detailed information

Reference: 0.029021000000000005, precision: 0.0000145
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2023a_serial_min 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_serial_opt 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_serial 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_ppc 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_mpi_min 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2023a_mpi_min 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_serial_debug 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_mpi_opt 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_intel-2022a_serial_omp 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_mpi 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_cuda_serial 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_intel-2023a_impi 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_mpi_debug 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_foss-2022a_cuda_mpi_omp 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS
spack_intel-2022a_impi_omp 2.902100000000000e-02 -3.469446951953614e-18 -2.392722035830079e-13 PASS