Match comparison for Born charge O XX w=0.1 (match type 22437)

Commits > Commit eea8a333c8089a21a3b9f1d1480b55481f8cdee7 > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.311500000000000e-01 2.660000000000000e-04 -5.311500000000000e-01 0.000000000000000e+00 -5.311500000000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: -0.53115, precision: 0.000266
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_ppc -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS