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

Commits > Commit a707423db2dcfe1920cae26cacaed48d94544399 > 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
foss-2022a_ppc -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_serial -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
cmake_foss_2022a_min_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_fosscuda-2022a -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_debug -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6 -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_opt -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022b_libxc6_mpi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_foss-2022a_mpi_debug -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_impi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022b_impi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-2022a_mpi_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
eb_fosscuda-2022a_mpi_omp -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_opt -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_debug -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
spack_foss-2022a_serial_omp -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
intel-2022a_omp_impi -5.311500000000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS