Match comparison for z (C1) (t=400 au) (match type 26050)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.340356350000000e+00 | 1.000000000000000e-04 | 1.340363625098076e+00 | 1.651292216933615e-14 | 1.340363625098090e+00 | 3.297362383136715e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 1.34035635, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_autotools: [foss2022a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_autotools: [foss2023a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| intel_autotools: [intel2023a-serial] | 1.340363625098123e+00 | 7.275098122816459e-06 | 7.275098122816459e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_autotools: [foss2023b-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | 1.340363625098057e+00 | 7.275098056869211e-06 | 7.275098056869211e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | 1.340363625098085e+00 | 7.275098085068876e-06 | 7.275098085068876e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.340363625098085e+00 | 7.275098085068876e-06 | 7.275098085068876e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | 1.340363625098057e+00 | 7.275098056869211e-06 | 7.275098056869211e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | 1.340363625098091e+00 | 7.275098090842036e-06 | 7.275098090842036e-02 | PASS |