Match comparison for z (C5) (t=400 au) (match type 26054)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.973097900000000e-01 | 1.000000000000000e-04 | -2.973146144558343e-01 | 1.796706912735113e-14 | -2.973146144558445e-01 | 2.514655150775980e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -0.29730979, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-2022a_ppc | -2.973146144558347e-01 | -4.824455834717689e-06 | -4.824455834717689e-02 | PASS |
| spack_foss-2022a_serial_opt | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| spack_foss-2022a_serial | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-2022a_opt | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| intel-2022b | -2.973146144558697e-01 | -4.824455869634203e-06 | -4.824455869634203e-02 | PASS |
| intel-2022a | -2.973146144558247e-01 | -4.824455824670171e-06 | -4.824455824670171e-02 | PASS |
| spack_foss-2022a_serial_omp | -2.973146144558488e-01 | -4.824455848762010e-06 | -4.824455848762010e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| foss-2022a_omp | -2.973146144558588e-01 | -4.824455858809529e-06 | -4.824455858809529e-02 | PASS |
| intel-2022a_omp | -2.973146144558562e-01 | -4.824455856144994e-06 | -4.824455856144994e-02 | PASS |
| eb_fosscuda-2022a | -2.973146144558523e-01 | -4.824455852314724e-06 | -4.824455852314724e-02 | PASS |
| eb_foss-2022a | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |
| eb_foss-2022b_libxc6 | -2.973146144558194e-01 | -4.824455819341100e-06 | -4.824455819341100e-02 | PASS |