Match comparison for z (C1) (t=400 au) (match type 26050)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
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 | 1.661412824730033e-14 | 1.340363625098089e+00 | 3.352873534367973e-14 | PASS |
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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_opt_autotools: [foss2023a-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_autotools: [foss2023b-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss_autotools: [foss2022a-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_omp_autotools: [foss2023a-serial] | 1.340363625098056e+00 | 7.275098055758988e-06 | 7.275098055758988e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | 1.340363625098085e+00 | 7.275098085068876e-06 | 7.275098085068876e-02 | PASS |
| intel_omp_autotools: [intel2022a-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 |