Match comparison for y (C5) (t=400 au) (match type 26048)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.362777940000000e+00 | 1.000000000000000e-04 | -1.362785864004232e+00 | 8.746242176123579e-15 | -1.362785864004226e+00 | 1.598721155460225e-14 | PASS |
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Detailed information
Reference: -1.36277794, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -1.362785864004210e+00 | -7.924004209680646e-06 | -7.924004209680646e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -1.362785864004242e+00 | -7.924004241655069e-06 | -7.924004241655069e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -1.362785864004220e+00 | -7.924004220116743e-06 | -7.924004220116743e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -1.362785864004220e+00 | -7.924004220116743e-06 | -7.924004220116743e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -1.362785864004233e+00 | -7.924004232995330e-06 | -7.924004232995330e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -1.362785864004234e+00 | -7.924004233883508e-06 | -7.924004233883508e-02 | PASS |