Match comparison for Exchange energy (match type 25013)
Commits >
Commit a02211b136400868a3f91e422c586cb9ab194975 >
Input 02-curvilinear_coordinates.01-gygi.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -8.830983800000000e-01 | 4.420000000000000e-07 | -8.830983650000001e-01 | 2.598076209985803e-08 | -8.830983800000001e-01 | 2.999999998420932e-08 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: -0.88309838, precision: 0.000000442| Run | Value | Difference | Relative difference | Status |
| foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | -8.830984100000000e-01 | -3.000000003972048e-08 | -6.787330325728615e-02 | PASS |
| foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] | -8.830983500000000e-01 | 2.999999992869817e-08 | 6.787330300610446e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-full] | -8.830983500000000e-01 | 2.999999992869817e-08 | 6.787330300610446e-02 | PASS |
| foss-cmake-zen4: [foss2023a-serial, foss-min] | -8.830983500000000e-01 | 2.999999992869817e-08 | 6.787330300610446e-02 | PASS |