Match comparison for z (C6) (t=400 au) (match type 26055)
Commits >
Commit f1dbe11076ccb3bb542605fe66566061d8720041 >
Input 11-dftbplus_ehrenfest.01-benzene.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.035385160000000e+00 | 1.000000000000000e-04 | 1.035393735233165e+00 | 1.471816875477817e-14 | 1.035393735233170e+00 | 2.831068712794149e-14 | PASS |
Checks for this match
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Detailed information
Reference: 1.03538516, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_ppc | 1.035393735233172e+00 | 8.575233172436469e-06 | 8.575233172436469e-02 | PASS |
| cmake_foss_2022a_full_serial | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| cmake_foss_2022a_full_mpi | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| spack_foss-2022a_serial | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| spack_foss-2023a_serial | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| spack_foss-2022a_cuda_serial | 1.035393735233148e+00 | 8.575233148011563e-06 | 8.575233148011563e-02 | PASS |
| spack_foss-2023a_serial_opt | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| spack_foss-2023b_serial | 1.035393735233167e+00 | 8.575233167329444e-06 | 8.575233167329444e-02 | PASS |
| spack_foss-2023a_serial_omp | 1.035393735233199e+00 | 8.575233198859777e-06 | 8.575233198859777e-02 | PASS |
| spack_intel-2023a_serial | 1.035393735233171e+00 | 8.575233171326246e-06 | 8.575233171326246e-02 | PASS |
| spack_intel-2022a_serial_omp | 1.035393735233142e+00 | 8.575233142238403e-06 | 8.575233142238403e-02 | PASS |
| spack_intel-2023a_serial_omp | 1.035393735233142e+00 | 8.575233142238403e-06 | 8.575233142238403e-02 | PASS |