Match comparison for y (C5) (t=400 au) (match type 26048)
Commits >
Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.362777940000000e+00 | 1.000000000000000e-04 | -1.362785864004230e+00 | 8.478983859482265e-15 | -1.362785864004223e+00 | 1.321165399303936e-14 | PASS |
Checks for this match
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Detailed information
Reference: -1.36277794, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2023a_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| cmake_foss_2022a_full_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2022a_ppc | -1.362785864004233e+00 | -7.924004232995330e-06 | -7.924004232995330e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2022a_cuda_serial | -1.362785864004234e+00 | -7.924004233883508e-06 | -7.924004233883508e-02 | PASS |
| spack_foss-2023a_serial_opt | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2023b_serial | -1.362785864004236e+00 | -7.924004236103954e-06 | -7.924004236103954e-02 | PASS |
| spack_foss-2023a_serial_omp | -1.362785864004227e+00 | -7.924004227444215e-06 | -7.924004227444215e-02 | PASS |
| spack_intel-2023a_serial | -1.362785864004210e+00 | -7.924004209680646e-06 | -7.924004209680646e-02 | PASS |
| spack_intel-2022a_serial_omp | -1.362785864004220e+00 | -7.924004220116743e-06 | -7.924004220116743e-02 | PASS |
| spack_intel-2023a_serial_omp | -1.362785864004220e+00 | -7.924004220116743e-06 | -7.924004220116743e-02 | PASS |