Match comparison for z (H4) (t=400 au) (match type 26065)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.373296060000000e+00 | 1.000000000000000e-04 | -2.373301794232886e+00 | 2.514445946786057e-14 | -2.373301794232899e+00 | 4.440892098500626e-14 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -2.37329606, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-2022a_ppc | -2.373301794232943e+00 | -5.734232943144235e-06 | -5.734232943144235e-02 | PASS |
| spack_foss-2022a_serial_opt | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| spack_foss-2022a_serial | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-2022a_opt | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| intel-2022b | -2.373301794232854e+00 | -5.734232854326393e-06 | -5.734232854326393e-02 | PASS |
| intel-2022a | -2.373301794232902e+00 | -5.734232901843939e-06 | -5.734232901843939e-02 | PASS |
| spack_foss-2022a_serial_omp | -2.373301794232890e+00 | -5.734232889853530e-06 | -5.734232889853530e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| foss-2022a_omp | -2.373301794232927e+00 | -5.734232927157024e-06 | -5.734232927157024e-02 | PASS |
| intel-2022a_omp | -2.373301794232916e+00 | -5.734232916054793e-06 | -5.734232916054793e-02 | PASS |
| eb_fosscuda-2022a | -2.373301794232886e+00 | -5.734232886300816e-06 | -5.734232886300816e-02 | PASS |
| eb_foss-2022a | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |
| eb_foss-2022b_libxc6 | -2.373301794232870e+00 | -5.734232870313605e-06 | -5.734232870313605e-02 | PASS |