Match comparison for Hartree energy (match type 25011)
Commits >
Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a >
Input 02-curvilinear_coordinates.01-gygi.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
2.041896305000000e+00 | 9.350000000000000e-08 | 2.041896276666666e+00 | 8.013876846612566e-08 | 2.041896305000000e+00 | 8.499999992750418e-08 | PASS |
Checks for this match
- MPI builders have different values.
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Detailed information
Reference: 2.041896305, precision: 0.0000000935Run | Value | Difference | Relative difference | Status |
foss-serial-full: [foss2023a-serial] | 2.041896220000000e+00 | -8.499999992750418e-08 | -9.090909083155527e-01 | PASS |
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] | 2.041896390000000e+00 | 8.499999992750418e-08 | 9.090909083155527e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | 2.041896220000000e+00 | -8.499999992750418e-08 | -9.090909083155527e-01 | PASS |