Match comparison for z (H4) (t=400 au) (match type 26065)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.373296060000000e+00 | 1.000000000000000e-04 | -2.373301794232893e+00 | 3.270599700051870e-14 | -2.373301794232921e+00 | 5.107025913275720e-14 | PASS |
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Detailed information
Reference: -2.37329606, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.373301794232892e+00 | -5.734232892518065e-06 | -5.734232892518065e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.373301794232892e+00 | -5.734232892518065e-06 | -5.734232892518065e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| intel-serial: [intel2023a-serial] | -2.373301794232972e+00 | -5.734232972454123e-06 | -5.734232972454123e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.373301794232930e+00 | -5.734232930265648e-06 | -5.734232930265648e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -2.373301794232874e+00 | -5.734232873866318e-06 | -5.734232873866318e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.373301794232930e+00 | -5.734232930265648e-06 | -5.734232930265648e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.373301794232943e+00 | -5.734232942700146e-06 | -5.734232942700146e-02 | PASS |