Match comparison for Benzene Energy [step 0] (match type 24557)

Commits > Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e > Input 12-tddft-currents-to-maxwell.06-benzene-dipole-and-quadrupole.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.744578235744467e+01 1.000000000000000e-04 -3.744578235744471e+01 9.700524898344924e-14 -3.744578235744478e+01 1.776356839400250e-13 PASS
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Detailed information

Reference: -37.44578235744467, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc -3.744578235744475e+01 -7.815970093361102e-14 -7.815970093361102e-10 PASS
cmake_foss_2022a_min_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
cmake_foss_2022a_full_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
foss-2022a_opt -3.744578235744470e+01 -2.842170943040401e-14 -2.842170943040401e-10 PASS
intel-2022b -3.744578235744461e+01 5.684341886080801e-14 5.684341886080801e-10 PASS
cmake_foss_2022a_min_mpi -3.744578235744475e+01 -7.815970093361102e-14 -7.815970093361102e-10 PASS
intel-2022a -3.744578235744461e+01 5.684341886080801e-14 5.684341886080801e-10 PASS
cmake_foss_2022a_full_mpi -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
eb_foss-2022a -3.744578235744470e+01 -2.842170943040401e-14 -2.842170943040401e-10 PASS
foss-2022a_omp -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
intel-2022a_omp -3.744578235744495e+01 -2.842170943040401e-13 -2.842170943040401e-09 PASS
intel-2022b_impi -3.744578235744461e+01 5.684341886080801e-14 5.684341886080801e-10 PASS
intel-2022a_impi -3.744578235744461e+01 5.684341886080801e-14 5.684341886080801e-10 PASS
eb_foss-2022a_debug -3.744578235744470e+01 -2.842170943040401e-14 -2.842170943040401e-10 PASS
eb_fosscuda-2022a -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
eb_foss-2022a_mpi -3.744578235744478e+01 -1.136868377216160e-13 -1.136868377216160e-09 PASS
eb_fosscuda-2022a_mpi_omp -3.744578235744471e+01 -4.263256414560601e-14 -4.263256414560601e-10 PASS
foss-2022a_mpi_omp -3.744578235744477e+01 -9.947598300641403e-14 -9.947598300641403e-10 PASS
spack_foss-2022a_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
eb_foss-2022b_libxc6 -3.744578235744471e+01 -3.552713678800501e-14 -3.552713678800501e-10 PASS
spack_foss-2022a_serial_min -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2022a_serial_debug -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
eb_foss-2022b_libxc6_mpi -3.744578235744482e+01 -1.492139745096210e-13 -1.492139745096210e-09 PASS
spack_foss-2022a_serial_omp -3.744578235744481e+01 -1.350031197944190e-13 -1.350031197944190e-09 PASS
intel-2022a_omp_impi -3.744578235744472e+01 -4.973799150320701e-14 -4.973799150320701e-10 PASS
eb_foss-2022a_mpi_debug -3.744578235744478e+01 -1.136868377216160e-13 -1.136868377216160e-09 PASS