Match comparison for y (H5) (t=400 au) (match type 26060)
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.434724800000000e+00 | 1.000000000000000e-04 | -2.434730919980145e+00 | 1.295375685975784e-14 | -2.434730919980159e+00 | 2.509104035652854e-14 | PASS |
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Detailed information
Reference: -2.4347248, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss_cmake: [foss2022a-serial, foss-full] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_autotools: [foss2022a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_autotools: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_opt_autotools: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| intel_autotools: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_autotools: [foss2023b-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_omp_autotools: [foss2023a-serial] | -2.434730919980133e+00 | -6.119980133334479e-06 | -6.119980133334479e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| foss_ppc_autotools: [foss2022a-serial] | -2.434730919980184e+00 | -6.119980183516560e-06 | -6.119980183516560e-02 | PASS |
| foss_cuda_autotools: [foss2022a-cuda-mpi] | -2.434730919980153e+00 | -6.119980153318494e-06 | -6.119980153318494e-02 | PASS |