Match comparison for z (C1) (t=400 au) (match type 26050)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.340356350000000e+00 | 1.000000000000000e-04 | 1.340363625098078e+00 | 1.445070071150548e-14 | 1.340363625098084e+00 | 3.153033389935445e-14 | PASS |
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Detailed information
Reference: 1.34035635, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss-2022a_ppc | 1.340363625098053e+00 | 7.275098052650364e-06 | 7.275098052650364e-02 | PASS |
| spack_foss-2022a_serial_opt | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| spack_foss-2022a_serial | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss-2022a_opt | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| intel-2022b | 1.340363625098087e+00 | 7.275098086623188e-06 | 7.275098086623188e-02 | PASS |
| intel-2022a | 1.340363625098087e+00 | 7.275098087289322e-06 | 7.275098087289322e-02 | PASS |
| spack_foss-2022a_serial_omp | 1.340363625098116e+00 | 7.275098115711032e-06 | 7.275098115711032e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| foss-2022a_omp | 1.340363625098093e+00 | 7.275098093284527e-06 | 7.275098093284527e-02 | PASS |
| intel-2022a_omp | 1.340363625098083e+00 | 7.275098083514564e-06 | 7.275098083514564e-02 | PASS |
| eb_fosscuda-2022a | 1.340363625098075e+00 | 7.275098074854824e-06 | 7.275098074854824e-02 | PASS |
| eb_foss-2022a | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |
| eb_foss-2022b_libxc6 | 1.340363625098070e+00 | 7.275098070191888e-06 | 7.275098070191888e-02 | PASS |