Match comparison for Benzene Energy [step 0] (match type 20283)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 12-tddft-currents-to-maxwell.02-benzene-mxll-td-length-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744385e+01 | 5.100000000000000e-08 | -3.744578235744471e+01 | 9.580867581505313e-14 | -3.744578235744478e+01 | 1.776356839400250e-13 | PASS |
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Detailed information
Reference: -37.445782357443846, precision: 0.000000051| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| foss-2022a_ppc | -3.744578235744475e+01 | -9.023892744153272e-13 | -1.769390734147701e-05 | PASS |
| spack_foss-2022a_serial_opt | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| foss-2022a_opt | -3.744578235744470e+01 | -8.526512829121202e-13 | -1.671865260612000e-05 | PASS |
| intel-2022b | -3.744578235744461e+01 | -7.673861546209082e-13 | -1.504678734550800e-05 | PASS |
| intel-2022a | -3.744578235744461e+01 | -7.673861546209082e-13 | -1.504678734550800e-05 | PASS |
| spack_foss-2022a_serial_omp | -3.744578235744481e+01 | -9.592326932761353e-13 | -1.880848418188501e-05 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| spack_foss-2022a_serial_debug | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| foss-2022a_omp | -3.744578235744484e+01 | -9.947598300641403e-13 | -1.950509470714001e-05 | PASS |
| intel-2022a_omp | -3.744578235744495e+01 | -1.108446667785756e-12 | -2.173424838795601e-05 | PASS |
| intel-2022b_impi | -3.744578235744461e+01 | -7.673861546209082e-13 | -1.504678734550800e-05 | PASS |
| intel-2022a_impi | -3.744578235744461e+01 | -7.673861546209082e-13 | -1.504678734550800e-05 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.744578235744471e+01 | -8.668621376273222e-13 | -1.699729681622200e-05 | PASS |
| eb_fosscuda-2022a | -3.744578235744464e+01 | -7.958078640513122e-13 | -1.560407576571200e-05 | PASS |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -1.476814313540600e-05 | PASS |
| foss-2022a_mpi_omp | -3.744578235744477e+01 | -9.237055564881302e-13 | -1.811187365663000e-05 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -9.023892744153272e-13 | -1.769390734147701e-05 | PASS |
| eb_foss-2022a | -3.744578235744470e+01 | -8.526512829121202e-13 | -1.671865260612000e-05 | PASS |
| eb_foss-2022b_libxc6 | -3.744578235744471e+01 | -8.597567102697212e-13 | -1.685797471117100e-05 | PASS |
| eb_foss-2022a_debug | -3.744578235744470e+01 | -8.526512829121202e-13 | -1.671865260612000e-05 | PASS |
| intel-2022a_omp_impi | -3.744578235744472e+01 | -8.739675649849232e-13 | -1.713661892127300e-05 | PASS |
| eb_foss-2022a_mpi | -3.744578235744478e+01 | -9.379164112033322e-13 | -1.839051786673201e-05 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744578235744482e+01 | -9.734435479913373e-13 | -1.908712839198701e-05 | PASS |
| eb_foss-2022a_mpi_debug | -3.744578235744478e+01 | -9.379164112033322e-13 | -1.839051786673201e-05 | PASS |