Match comparison for Born charge O ZZ w=0.1 (match type 22439)

Commits > Commit 995bec41f97239ed4859b75e5397558b96cd16ab > Input 06-h2o_pol_lr.03_emresp.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-6.771520000000000e-01 3.390000000000000e-05 -6.771520000000000e-01 0.000000000000000e+00 -6.771520000000000e-01 0.000000000000000e+00 PASS
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Detailed information

Reference: -0.677152, precision: 0.0000339
Run Value Difference Relative difference Status
spack_foss-2022a_ppc -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_min_mpi -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
cmake_foss_2022a_full_mpi -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi_min -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_mpi -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_mpi_omp -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_min -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_cuda_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_min -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_min -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_opt -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_opt -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_debug -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_debug -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023b_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_serial_omp -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_serial_omp -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2023a_mpi_omp -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_serial -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2023a_impi -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_intel-2022a_impi_omp -6.771520000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS