Match comparison for z (C1) (t=400 au) (match type 26050)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.340356350000000e+00 | 1.000000000000000e-04 | 1.340363625098077e+00 | 1.628704779489726e-14 | 1.340363625098090e+00 | 3.297362383136715e-14 | PASS |
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Detailed information
Reference: 1.34035635, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | 1.340363625098123e+00 | 7.275098122816459e-06 | 7.275098122816459e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | 1.340363625098075e+00 | 7.275098075076869e-06 | 7.275098075076869e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | 1.340363625098085e+00 | 7.275098085068876e-06 | 7.275098085068876e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | 1.340363625098085e+00 | 7.275098085068876e-06 | 7.275098085068876e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | 1.340363625098057e+00 | 7.275098056869211e-06 | 7.275098056869211e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |