Match comparison for Born charge O ZZ w=-0.2 (match type 17716)

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Input 02-h2o_pol_lr.03_h2o_dyn_pol_cmplx.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.699754000000000e+00 8.500000000000000e-06 -1.699755333333333e+00 5.185449728693450e-06 -1.699753500000000e+00 5.499999999991623e-06 PASS

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Detailed information

Reference: -1.699754, precision: 0.0000085
Run Value Difference Relative difference Status
foss-2022a_ppc -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
cmake_foss_2022a_full_serial -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
spack_foss-2022a_serial -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
foss-2022a_opt -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
intel-2022b -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
intel-2022a -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
cmake_foss_2022a_min_mpi -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
spack_foss-2022a_serial_debug -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
cmake_foss_2022a_full_mpi -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
foss-2022a_omp -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_fosscuda-2022a -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
cmake_foss_2022a_min_serial -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
intel-2022a_omp -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
intel-2022b_impi -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
intel-2022a_impi -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
foss-2022a_mpi_omp -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_foss-2022a -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
spack_foss-2022a_serial_min -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
eb_foss-2022b_libxc6 -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_fosscuda-2022a_mpi_omp -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
eb_foss-2022a_debug -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
spack_foss-2022a_serial_omp -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
intel-2022a_omp_impi -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_foss-2022a_mpi -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_foss-2022b_libxc6_mpi -1.699748000000000e+00 5.999999999950489e-06 7.058823529353517e-01 PASS
eb_foss-2022a_mpi_debug -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS
eb_foss-2022a_valgrind -1.699759000000000e+00 -5.000000000032756e-06 -5.882352941215007e-01 PASS