Match comparison for H2 Multipole x (match type 15308)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.942026147098388e-01 | 4.000000000000000e-15 | -3.942026147098410e-01 | 5.569588103046497e-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: -0.3942026147098388, precision: 0.000000000000004| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | -3.942026147098415e-01 | -2.664535259100376e-15 | -6.661338147750939e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | -3.942026147098412e-01 | -2.442490654175344e-15 | -6.106226635438361e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | -3.942026147098402e-01 | -1.387778780781446e-15 | -3.469446951953614e-01 | PASS |