Match comparison for y (C4) (t=400 au) (match type 26047)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -4.172809800000000e-01 | 1.000000000000000e-04 | -4.172861028743503e-01 | 7.706059533461850e-15 | -4.172861028743462e-01 | 1.301736496372996e-14 | PASS |
Checks for this match
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Detailed information
Reference: -0.41728098, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | -4.172861028743357e-01 | -5.122874335627969e-06 | -5.122874335627969e-02 | PASS |
| cmake_foss_2022a_full_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| cmake_foss_2022a_full_mpi | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2022a_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2022a_cuda_serial | -4.172861028743592e-01 | -5.122874359220209e-06 | -5.122874359220209e-02 | PASS |
| spack_foss-2023a_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2023a_serial_opt | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2023b_serial | -4.172861028743531e-01 | -5.122874353058471e-06 | -5.122874353058471e-02 | PASS |
| spack_foss-2023a_serial_omp | -4.172861028743544e-01 | -5.122874354390738e-06 | -5.122874354390738e-02 | PASS |
| spack_intel-2022a_serial_omp | -4.172861028743332e-01 | -5.122874333185479e-06 | -5.122874333185479e-02 | PASS |
| spack_intel-2023a_serial | -4.172861028743521e-01 | -5.122874352059270e-06 | -5.122874352059270e-02 | PASS |