Match comparison for Benzene Energy [step 0] (match type 25752)
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744578235744385e+01 | 3.740000000000000e-12 | -3.744578235744471e+01 | 1.013405998178286e-13 | -3.744578235744478e+01 | 1.776356839400250e-13 | PASS |
Checks for this match
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Detailed information
Reference: -37.445782357443846, precision: 0.00000000000374| Run | Value | Difference | Relative difference | Status |
| eb_foss-2022a_ppc | -3.744578235744475e+01 | -9.023892744153272e-13 | -2.412805546565046e-01 | PASS |
| cmake_foss_2022a_full_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| cmake_foss_2022a_full_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| eb_fosscuda-2022a | -3.744578235744464e+01 | -7.958078640513122e-13 | -2.127828513506183e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -9.023892744153272e-13 | -2.412805546565046e-01 | PASS |
| eb_foss-2022a_debug | -3.744578235744470e+01 | -8.526512829121202e-13 | -2.279816264470910e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.744578235744471e+01 | -8.597567102697212e-13 | -2.298814733341501e-01 | PASS |
| eb_intel-2022a | -3.744578235744461e+01 | -7.673861546209082e-13 | -2.051834638023819e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.744578235744482e+01 | -9.734435479913373e-13 | -2.602790235270955e-01 | PASS |
| intel-2022b | -3.744578235744461e+01 | -7.673861546209082e-13 | -2.051834638023819e-01 | PASS |
| eb_intel-2022a_omp | -3.744578235744495e+01 | -1.108446667785756e-12 | -2.963761143812182e-01 | PASS |
| eb_foss-2022a_mpi_debug | -3.744578235744478e+01 | -9.379164112033322e-13 | -2.507797890918001e-01 | PASS |
| eb_intel-2022a_impi | -3.744578235744461e+01 | -7.673861546209082e-13 | -2.051834638023819e-01 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2022a_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578235744473e+01 | -8.810729923425242e-13 | -2.355810139953274e-01 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| intel-2022b_impi | -3.744578235744461e+01 | -7.673861546209082e-13 | -2.051834638023819e-01 | PASS |
| spack_foss-2022a_serial_debug | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.744578235744481e+01 | -9.592326932761353e-13 | -2.564793297529773e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2022a_mpi_omp | -3.744578235744480e+01 | -9.521272659185342e-13 | -2.545794828659182e-01 | PASS |
| eb_intel-2022a_omp_impi | -3.744578235744472e+01 | -8.739675649849232e-13 | -2.336811671082683e-01 | PASS |