Match comparison for H2 Multipole z (match type 15310)
Commits >
Commit 9249e225163115cefb8eff3cf9bb10e762d36385 >
Input 30-local_multipoles.02-multipoles.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.942026147098392e-01 | 3.940000000000000e-15 | 3.942026147098407e-01 | 4.980559976921029e-16 | 3.942026147098409e-01 | 5.828670879282072e-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-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | 3.942026147098410e-01 | 1.831867990631508e-15 | 4.649411143734792e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | 3.942026147098403e-01 | 1.110223024625157e-15 | 2.817824935596844e-01 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | 3.942026147098403e-01 | 1.110223024625157e-15 | 2.817824935596844e-01 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 3.942026147098415e-01 | 2.275957200481571e-15 | 5.776541117973530e-01 | PASS |