Match comparison for Born charge O ZZ w=0.0 (match type 17689)

Commits > Commit 0b4356d4fa228266301da10567cd10de2d19abc0 > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.217000000000000e-02 1.610000000000000e-04 -3.217199999999999e-02 6.938893903907228e-18 -3.217200000000000e-02 0.000000000000000e+00 PASS
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Detailed information

Reference: -0.03217, precision: 0.000161
Run Value Difference Relative difference Status
foss-2022a_ppc -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
cmake_foss_2022a_full_serial -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
cmake_foss_2022a_min_serial -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
cmake_foss_2022a_full_mpi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
cmake_foss_2022a_min_mpi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022a -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_fosscuda-2022a -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022a_debug -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022b_libxc6 -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022a_mpi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss-2022a_opt -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss-2022a_omp -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022a -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022b -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022b_libxc6_mpi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022a_valgrind -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_foss-2022a_mpi_debug -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
eb_fosscuda-2022a_mpi_omp -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
spack_foss-2022a_serial -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022a_omp -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022a_impi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
spack_foss-2022a_serial_debug -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022b_impi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
spack_foss-2022a_serial_min -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
foss-2022a_mpi_omp -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
spack_foss-2022a_serial_opt -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
spack_foss-2022a_serial_omp -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS
intel-2022a_omp_impi -3.217200000000000e-02 -2.000000000002000e-06 -1.242236024845963e-02 PASS