Match comparison for y (H1) (t=400 au) (match type 26056)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.454878900000000e-01 | 1.000000000000000e-04 | 7.454913619307511e-01 | 4.764185062417924e-14 | 7.454913619307186e-01 | 7.210898544940392e-14 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: 0.74548789, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 7.454913619306465e-01 | 3.471930646425925e-06 | 3.471930646425925e-02 | PASS |
| spack_foss-2023a_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_foss-2022a_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_foss-2023a_serial_opt | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_foss-2023b_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_foss-2023a_serial_omp | 7.454913619307907e-01 | 3.471930790643896e-06 | 3.471930790643896e-02 | PASS |
| spack_intel-2022a_serial_omp | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |
| cmake_foss_2022a_full_mpi | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_foss-2022a_cuda_serial | 7.454913619306960e-01 | 3.471930695941872e-06 | 3.471930695941872e-02 | PASS |
| cmake_foss_2022a_full_serial | 7.454913619307818e-01 | 3.471930781762111e-06 | 3.471930781762111e-02 | PASS |
| spack_intel-2023a_serial | 7.454913619307851e-01 | 3.471930785092781e-06 | 3.471930785092781e-02 | PASS |
| spack_intel-2023a_serial_omp | 7.454913619307018e-01 | 3.471930701715031e-06 | 3.471930701715031e-02 | PASS |