Match comparison for Benzene Energy [step 20] (match type 30136)
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Input 12-tddft-currents-to-maxwell.03-benzene-mxll-td-veloc-gauge.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.744565861329850e+01 | 1.870000000000000e-12 | -3.744565861329841e+01 | 2.864289338439558e-14 | -3.744565861329841e+01 | 3.552713678800501e-14 | PASS |
Checks for this match
- MPI builders have different values.
- GPU builders have different values. Zen 4 builders have different values.
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Detailed information
Reference: -37.4456586132985, precision: 0.00000000000187| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -3.744565861329844e+01 | 5.684341886080801e-14 | 3.039755019294546e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -3.744565861329843e+01 | 6.394884621840902e-14 | 3.419724396706365e-02 | PASS |
| cuda-mpi: [foss2022a-cuda-mpi] | -3.744565861329837e+01 | 1.278976924368180e-13 | 6.839448793412729e-02 | PASS |
| foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -3.744565861329840e+01 | 9.947598300641403e-14 | 5.319571283765456e-02 | PASS |