Match comparison for y (H5) (t=400 au) (match type 26060)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.434724800000000e+00 | 1.000000000000000e-04 | -2.434730919980136e+00 | 2.573583592472397e-14 | -2.434730919980124e+00 | 5.195843755245733e-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 |
| cmake_foss_2022a_full_serial | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-2022a_ppc | -2.434730919980072e+00 | -6.119980072050168e-06 | -6.119980072050168e-02 | PASS |
| spack_foss-2022a_serial_opt | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| spack_foss-2022a_serial | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-2022a_opt | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| intel-2022b | -2.434730919980149e+00 | -6.119980148433513e-06 | -6.119980148433513e-02 | PASS |
| intel-2022a | -2.434730919980176e+00 | -6.119980175967044e-06 | -6.119980175967044e-02 | PASS |
| spack_foss-2022a_serial_omp | -2.434730919980103e+00 | -6.119980102692324e-06 | -6.119980102692324e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| foss-2022a_omp | -2.434730919980116e+00 | -6.119980116015000e-06 | -6.119980116015000e-02 | PASS |
| intel-2022a_omp | -2.434730919980155e+00 | -6.119980154650762e-06 | -6.119980154650762e-02 | PASS |
| eb_fosscuda-2022a | -2.434730919980176e+00 | -6.119980175522954e-06 | -6.119980175522954e-02 | PASS |
| eb_foss-2022a | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |
| eb_foss-2022b_libxc6 | -2.434730919980137e+00 | -6.119980137331282e-06 | -6.119980137331282e-02 | PASS |