Match comparison for H2 Multipole z (match type 15361)
Commits >
Commit 08a123e8337f28f39929f3cca3eabd71ca2e24e9 >
Input 30-local_multipoles.03-multipoles_restart.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.942026147098392e-01 | 3.940000000000000e-15 | 3.942026147098410e-01 | 5.786665876514104e-16 | 3.942026147098409e-01 | 6.383782391594650e-16 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.3942026147098392, precision: 0.00000000000000394| Run | Value | Difference | Relative difference | Status |
| foss-serial: [foss2023a-serial] | 3.942026147098402e-01 | 9.992007221626409e-16 | 2.536042442037160e-01 | PASS |
| intel-parallel: [intel2023a-mpi] | 3.942026147098414e-01 | 2.164934898019055e-15 | 5.494758624413846e-01 | PASS |
| foss-parallel: [foss2023a-mpi] | 3.942026147098415e-01 | 2.275957200481571e-15 | 5.776541117973530e-01 | PASS |