Match comparison for y (C4) (t=400 au) (match type 26047)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.172809800000000e-01 | 1.000000000000000e-04 | -4.172861028743494e-01 | 9.427281318295023e-15 | -4.172861028743446e-01 | 1.865174681370263e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.41728098, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss-2022a_ppc | -4.172861028743567e-01 | -5.122874356666696e-06 | -5.122874356666696e-02 | PASS |
| spack_foss-2022a_serial_opt | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2022a_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss-2022a_opt | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| intel-2022b | -4.172861028743345e-01 | -5.122874334517746e-06 | -5.122874334517746e-02 | PASS |
| intel-2022a | -4.172861028743451e-01 | -5.122874345120376e-06 | -5.122874345120376e-02 | PASS |
| spack_foss-2022a_serial_omp | -4.172861028743547e-01 | -5.122874354723805e-06 | -5.122874354723805e-02 | PASS |
| cmake_foss_2022a_full_mpi | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| foss-2022a_omp | -4.172861028743632e-01 | -5.122874363217012e-06 | -5.122874363217012e-02 | PASS |
| intel-2022a_omp | -4.172861028743259e-01 | -5.122874325913518e-06 | -5.122874325913518e-02 | PASS |
| eb_fosscuda-2022a | -4.172861028743401e-01 | -5.122874340068861e-06 | -5.122874340068861e-02 | PASS |
| eb_foss-2022a | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| eb_foss-2022b_libxc6 | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |