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

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > 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 -3.744578235744473e+01 1.333937674069216e-13 -3.744578235744478e+01 2.486899575160351e-13 PASS
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Detailed information

Reference: -37.44578235744467, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -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
spack_foss-2022a_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2022a_ppc -3.744578235744483e+01 -1.563194018672220e-13 -1.563194018672220e-09 PASS
spack_foss-2023a_mpi_min -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
cmake_foss_2022a_min_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2022a_mpi_min -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
spack_foss-2023a_mpi -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
cmake_foss_2022a_full_mpi -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
spack_foss-2022a_mpi -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
cmake_foss_2022a_min_mpi -3.744578235744475e+01 -7.815970093361102e-14 -7.815970093361102e-10 PASS
spack_foss-2022a_cuda_mpi_omp -3.744578235744473e+01 -5.684341886080801e-14 -5.684341886080801e-10 PASS
spack_foss-2023a_mpi_debug -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
spack_foss-2023a_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2023a_mpi_opt -3.744578235744484e+01 -1.705302565824240e-13 -1.705302565824240e-09 PASS
spack_foss-2022a_cuda_serial -3.744578235744463e+01 4.263256414560601e-14 4.263256414560601e-10 PASS
spack_foss-2023a_serial_debug -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2023a_serial_min -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2023a_serial_opt -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2023a_mpi_omp -3.744578235744483e+01 -1.563194018672220e-13 -1.563194018672220e-09 PASS
spack_foss-2023b_serial -3.744578235744460e+01 7.105427357601002e-14 7.105427357601002e-10 PASS
spack_foss-2023a_serial_omp -3.744578235744480e+01 -1.278976924368180e-13 -1.278976924368180e-09 PASS
spack_intel-2023a_serial -3.744578235744453e+01 1.421085471520200e-13 1.421085471520200e-09 PASS
spack_intel-2022a_serial_omp -3.744578235744492e+01 -2.486899575160351e-13 -2.486899575160351e-09 PASS
spack_intel-2023a_serial_omp -3.744578235744492e+01 -2.486899575160351e-13 -2.486899575160351e-09 PASS
spack_intel-2023a_impi -3.744578235744464e+01 2.842170943040401e-14 2.842170943040401e-10 PASS
spack_intel-2022a_impi_omp -3.744578235744503e+01 -3.552713678800501e-13 -3.552713678800501e-09 PASS