Match comparison for Born charge O YY w=0.0 (match type 17688)

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Input 02-h2o_pol_lr.02_h2o_dyn_pol.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.496040000000000e-01 1.750000000000000e-05 -3.496020000000001e-01 1.110223024625157e-16 -3.496020000000000e-01 0.000000000000000e+00 PASS

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Detailed information

Reference: -0.349604, precision: 0.0000175
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_serial_min -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_serial_opt -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023b_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_ppc -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_mpi_min -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_serial_debug -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_intel-2022a_serial_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_serial_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_mpi_opt -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_full_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_intel-2023a_impi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_mpi_debug -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_mpi_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_min_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_full_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
cmake_foss_2022a_min_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_mpi_min -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_intel-2022a_impi_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_intel-2023a_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_mpi -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_intel-2023a_serial_omp -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2023a_valgrind -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS
spack_foss-2022a_cuda_serial -3.496020000000000e-01 2.000000000002000e-06 1.142857142858286e-01 PASS