Match comparison for Benzene Multipoles [step 20] (match type 20286)

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.094497332627963e-02 9.000000000000000e-07 -2.094508891117044e-02 7.726213410541276e-15 -2.094508891117253e-02 1.592476150946709e-14 PASS

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Detailed information

Reference: -0.020944973326279627, precision: 0.0000009
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
cmake_foss_2022a_full_mpi -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
cmake_foss_2022a_min_serial -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
cmake_foss_2022a_min_mpi -2.094508891115661e-02 -1.155848769821000e-07 -1.284276410912222e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.094508891116468e-02 -1.155848850485641e-07 -1.284276500539601e-01 PASS
spack_foss-2022a_mpi -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
spack_foss-2022a_mpi_min -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
spack_foss-2022a_serial -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_foss-2022a_serial_min -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_foss-2023a_mpi -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
spack_foss-2023a_mpi_min -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
spack_foss-2022a_cuda_serial -2.094508891116871e-02 -1.155848890835309e-07 -1.284276545372566e-01 PASS
spack_foss-2023a_serial -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_foss-2023a_mpi_opt -2.094508891117046e-02 -1.155848908321322e-07 -1.284276564801469e-01 PASS
spack_foss-2023a_serial_min -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_foss-2023a_mpi_omp -2.094508891116218e-02 -1.155848825575012e-07 -1.284276472861125e-01 PASS
spack_foss-2023a_serial_opt -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_foss-2023a_serial_omp -2.094508891117295e-02 -1.155848933197257e-07 -1.284276592441396e-01 PASS
spack_foss-2023b_serial -2.094508891116567e-02 -1.155848860408260e-07 -1.284276511564733e-01 PASS
spack_intel-2023a_serial -2.094508891117846e-02 -1.155848988326769e-07 -1.284276653696410e-01 PASS
spack_intel-2022a_serial_omp -2.094508891118846e-02 -1.155849088316230e-07 -1.284276764795811e-01 PASS
spack_intel-2023a_impi -2.094508891117862e-02 -1.155848989922714e-07 -1.284276655469682e-01 PASS
spack_intel-2023a_serial_omp -2.094508891118846e-02 -1.155849088316230e-07 -1.284276764795811e-01 PASS
spack_intel-2022a_impi_omp -2.094508891118340e-02 -1.155849037731693e-07 -1.284276708590770e-01 PASS