Match comparison for z (C3) (t=400 au) (match type 26052)
Commits >
Commit e20977157e4d251b72bb22e6c23e92a645445263 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.020043890000000e+00 | 1.000000000000000e-04 | -1.020052473929683e+00 | 1.534321669665061e-14 | -1.020052473929681e+00 | 3.652633751016765e-14 | PASS |
Checks for this match
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Detailed information
Reference: -1.02004389, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| foss-2022a_ppc | -1.020052473929645e+00 | -8.583929644867538e-06 | -8.583929644867538e-02 | PASS |
| spack_foss-2022a_serial | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| foss-2022a_opt | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| intel-2022b | -1.020052473929680e+00 | -8.583929679728541e-06 | -8.583929679728541e-02 | PASS |
| intel-2022a | -1.020052473929718e+00 | -8.583929717920213e-06 | -8.583929717920213e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| spack_foss-2022a_serial_omp | -1.020052473929680e+00 | -8.583929679728541e-06 | -8.583929679728541e-02 | PASS |
| foss-2022a_omp | -1.020052473929692e+00 | -8.583929692163039e-06 | -8.583929692163039e-02 | PASS |
| intel-2022a_omp | -1.020052473929692e+00 | -8.583929691718950e-06 | -8.583929691718950e-02 | PASS |
| eb_fosscuda-2022a | -1.020052473929669e+00 | -8.583929668626311e-06 | -8.583929668626311e-02 | PASS |
| eb_foss-2022a | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.020052473929683e+00 | -8.583929683281255e-06 | -8.583929683281255e-02 | PASS |