Match comparison for y (H2) (t=400 au) (match type 26057)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.434725530000000e+00 | 1.000000000000000e-04 | 2.434731949455809e+00 | 3.855518360836623e-14 | 2.434731949455798e+00 | 4.640732242933154e-14 | PASS |
Checks for this match
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Detailed information
Reference: 2.43472553, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 2.434731949455775e+00 | 6.419455774953065e-06 | 6.419455774953065e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 2.434731949455780e+00 | 6.419455779393957e-06 | 6.419455779393957e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 2.434731949455844e+00 | 6.419455843786892e-06 | 6.419455843786892e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 2.434731949455766e+00 | 6.419455766071280e-06 | 6.419455766071280e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 2.434731949455767e+00 | 6.419455766959459e-06 | 6.419455766959459e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 2.434731949455751e+00 | 6.419455750972247e-06 | 6.419455750972247e-02 | PASS |