Match comparison for y (H6) (t=400 au) (match type 26061)
Commits >
Commit abc749737cc12a5b79d975879ed425be2e62065f >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.689228270000000e+00 | 1.000000000000000e-04 | -1.689233766770286e+00 | 6.366717314261033e-14 | -1.689233766770359e+00 | 1.149080830487037e-13 | PASS |
Checks for this match
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Detailed information
Reference: -1.68922827, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| spack_foss-2022a_serial_opt | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| spack_foss-2022a_serial | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| foss-2022a_opt | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| intel-2022b | -1.689233766770272e+00 | -5.496770271840035e-06 | -5.496770271840035e-02 | PASS |
| intel-2022a | -1.689233766770312e+00 | -5.496770311586019e-06 | -5.496770311586019e-02 | PASS |
| cmake_foss_2022a_full_mpi | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| spack_foss-2022a_serial_omp | -1.689233766770286e+00 | -5.496770286050889e-06 | -5.496770286050889e-02 | PASS |
| eb_fosscuda-2022a | -1.689233766770337e+00 | -5.496770336677059e-06 | -5.496770336677059e-02 | PASS |
| foss-2022a_omp | -1.689233766770474e+00 | -5.496770474344714e-06 | -5.496770474344714e-02 | PASS |
| foss-2022a_ppc | -1.689233766770260e+00 | -5.496770259627581e-06 | -5.496770259627581e-02 | PASS |
| intel-2022a_omp | -1.689233766770358e+00 | -5.496770357549252e-06 | -5.496770357549252e-02 | PASS |
| eb_foss-2022a | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.689233766770245e+00 | -5.496770244528548e-06 | -5.496770244528548e-02 | PASS |