Match comparison for y (H5) (t=400 au) (match type 26060)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.434724800000000e+00 | 1.000000000000000e-04 | -2.434730919980144e+00 | 1.228129492676800e-14 | -2.434730919980160e+00 | 2.398081733190338e-14 | PASS |
Checks for this match
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Zen 4 builders have different values.
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Detailed information
Reference: -2.4347248, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -2.434730919980136e+00 | -6.119980135554925e-06 | -6.119980135554925e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -2.434730919980136e+00 | -6.119980135554925e-06 | -6.119980135554925e-02 | PASS |
| foss-serial-full: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-opt-full: [foss2023a-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_cmake: [foss2022a-serial, foss-full] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| intel-serial: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| foss-serial-full: [foss2023b-serial] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss_cmake: [foss2022a-mpi, foss-full-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| intel_omp_autotools: [intel2022a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| foss-ppc: [foss2022a-serial] | -2.434730919980184e+00 | -6.119980183516560e-06 | -6.119980183516560e-02 | PASS |
| intel_omp_autotools: [intel2023a-serial] | -2.434730919980150e+00 | -6.119980150209869e-06 | -6.119980150209869e-02 | PASS |
| foss_cmake: [foss2023a-mpi, foss-full-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-mpi-opt-full: [foss2023a-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-mpi-full: [foss2023a-mpi] | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| cuda-serial: [foss2022a-cuda-mpi] | -2.434730919980153e+00 | -6.119980153318494e-06 | -6.119980153318494e-02 | PASS |