Match comparison for y (C1) (t=400 au) (match type 26044)
Commits >
Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.172809400000000e-01 | 1.000000000000000e-04 | 4.172860461983721e-01 | 1.269475017214356e-14 | 4.172860461983795e-01 | 1.865174681370263e-14 | PASS |
Checks for this match
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Detailed information
Reference: 0.41728094, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 4.172860461983907e-01 | 5.106198390725236e-06 | 5.106198390725236e-02 | PASS |
| cmake_foss_2022a_full_mpi | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| cmake_foss_2022a_full_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2022a_cuda_serial | 4.172860461983814e-01 | 5.106198381399363e-06 | 5.106198381399363e-02 | PASS |
| spack_foss-2022a_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2023a_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2023a_serial_opt | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2023b_serial | 4.172860461983608e-01 | 5.106198360860237e-06 | 5.106198360860237e-02 | PASS |
| spack_foss-2023a_serial_omp | 4.172860461983747e-01 | 5.106198374738025e-06 | 5.106198374738025e-02 | PASS |
| spack_intel-2023a_serial | 4.172860461983982e-01 | 5.106198398163730e-06 | 5.106198398163730e-02 | PASS |
| spack_intel-2022a_serial_omp | 4.172860461983774e-01 | 5.106198377402560e-06 | 5.106198377402560e-02 | PASS |
| spack_intel-2023a_serial_omp | 4.172860461983774e-01 | 5.106198377402560e-06 | 5.106198377402560e-02 | PASS |