Match comparison for H2 Electrons (match type 15307)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.853378781759887e+00 | 1.850000000000000e-14 | 1.853378781759891e+00 | 1.041481514324134e-15 | 1.853378781759891e+00 | 1.221245327087672e-15 | 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: 1.853378781759887, precision: 0.0000000000000185| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] | 1.853378781759891e+00 | 3.774758283725532e-15 | 2.040409883094882e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] | 1.853378781759893e+00 | 5.551115123125783e-15 | 3.000602769257180e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, ci-foss-full] | 1.853378781759890e+00 | 3.108624468950438e-15 | 1.680337550784021e-01 | PASS |