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

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > 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 -3.744578880864108e+01 9.905213794698627e-14 -3.744578880864112e+01 1.492139745096210e-13 PASS

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Detailed information

Reference: -37.44578235744467, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_min_autotools: [foss2023b-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_min_autotools: [foss2022a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_autotools: [foss2022a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_cmake_mpi_min: [foss2023a-mpi] -3.744578880864100e+01 -6.451196327361686e-06 -6.451196327361686e-02 PASS
foss_cmake_mpi_min: [foss2022a-mpi] -3.744578880864100e+01 -6.451196327361686e-06 -6.451196327361686e-02 PASS
foss_autotools: [foss2023b-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
intel_autotools: [intel2023a-serial] -3.744578880864127e+01 -6.451196597367925e-06 -6.451196597367925e-02 PASS
foss_autotools: [foss2023a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.744578880864100e+01 -6.451196327361686e-06 -6.451196327361686e-02 PASS
foss_omp_autotools: [foss2023a-serial] -3.744578880864120e+01 -6.451196533419079e-06 -6.451196533419079e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.744578880864100e+01 -6.451196327361686e-06 -6.451196327361686e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.744578880864127e+01 -6.451196597367925e-06 -6.451196597367925e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.744578880864127e+01 -6.451196597367925e-06 -6.451196597367925e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.744578880864105e+01 -6.451196384205105e-06 -6.451196384205105e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.744578880864115e+01 -6.451196476575660e-06 -6.451196476575660e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.744578880864124e+01 -6.451196568946216e-06 -6.451196568946216e-02 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.744578880864097e+01 -6.451196298939976e-06 -6.451196298939976e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.744578880864102e+01 -6.451196348677968e-06 -6.451196348677968e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.744578880864117e+01 -6.451196497891942e-06 -6.451196497891942e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.744578880864124e+01 -6.451196568946216e-06 -6.451196568946216e-02 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.744578880864106e+01 -6.451196391310532e-06 -6.451196391310532e-02 PASS