Match comparison for y (H5) (t=400 au) (match type 26060)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.434724800000000e+00 | 1.000000000000000e-04 | -2.434730919980147e+00 | 1.350179927764448e-14 | -2.434730919980161e+00 | 2.309263891220326e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -2.4347248, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| GCI_foss_opt_autotools: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| GCI_foss-cmake: [foss2022a-serial, foss-full] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| GCI_intel_autotools: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| GCI_foss_omp_autotools: [foss2023a-serial] | -2.434730919980156e+00 | -6.119980155983029e-06 | -6.119980155983029e-02 | PASS |
| GCI_intel_omp_autotools: [intel2022a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| GCI_intel_omp_autotools: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| GCI_foss_ppc_autotools: [foss2022a-serial] | -2.434730919980184e+00 | -6.119980183516560e-06 | -6.119980183516560e-02 | PASS |
| GCI_foss_autotools: [foss2022a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| GCI_foss_autotools: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| GCI_foss_autotools: [foss2023b-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |