Match comparison for Benzene Energy [step 0] (match type 25752)
Commits >
Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 >
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 | -3.744578235744473e+01 | 1.353221753687489e-13 | -3.744578235744478e+01 | 2.486899575160351e-13 | PASS |
Checks for this match
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Detailed information
Reference: -37.445782357443846, precision: 0.00000000000374| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_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 |
| cmake_foss_2022a_min_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| cmake_foss_2022a_min_mpi | -3.744578235744475e+01 | -9.023892744153272e-13 | -2.412805546565046e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -3.744578235744473e+01 | -8.810729923425242e-13 | -2.355810139953274e-01 | PASS |
| spack_foss-2022a_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2022a_mpi_min | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2022a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2022a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2023a_mpi | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2023a_mpi_min | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2022a_cuda_serial | -3.744578235744464e+01 | -7.958078640513122e-13 | -2.127828513506183e-01 | PASS |
| spack_foss-2023a_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2023a_mpi_opt | -3.744578235744484e+01 | -9.947598300641403e-13 | -2.659785641882728e-01 | PASS |
| spack_foss-2023a_serial_min | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2023a_mpi_omp | -3.744578235744483e+01 | -9.805489753489383e-13 | -2.621788704141546e-01 | PASS |
| spack_foss-2023a_serial_opt | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_foss-2023a_serial_omp | -3.744578235744480e+01 | -9.521272659185342e-13 | -2.545794828659182e-01 | PASS |
| spack_foss-2023b_serial | -3.744578235744460e+01 | -7.531752999057062e-13 | -2.013837700282637e-01 | PASS |
| spack_intel-2023a_serial | -3.744578235744453e+01 | -6.821210263296962e-13 | -1.823853011576728e-01 | PASS |
| spack_intel-2022a_serial_omp | -3.744578235744492e+01 | -1.072919530997751e-12 | -2.868768799459228e-01 | PASS |
| spack_intel-2023a_impi | -3.744578235744464e+01 | -7.958078640513122e-13 | -2.127828513506183e-01 | PASS |
| spack_intel-2023a_serial_omp | -3.744578235744492e+01 | -1.072919530997751e-12 | -2.868768799459228e-01 | PASS |
| spack_intel-2022a_impi_omp | -3.744578235744503e+01 | -1.179500941361766e-12 | -3.153745832518092e-01 | PASS |