Match comparison for Exchange energy (match type 25013)

Commits > Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a > Input 02-curvilinear_coordinates.01-gygi.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.830983800000000e-01 4.420000000000000e-07 -8.830983700000000e-01 2.828427123257431e-08 -8.830983800000001e-01 2.999999998420932e-08 PASS

Checks for this match

  • MPI builders have different values.
    • Zen 4 builders have different values.
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Detailed information

Reference: -0.88309838, precision: 0.000000442
Run Value Difference Relative difference Status
foss-serial-full: [foss2023a-serial] -8.830983500000000e-01 2.999999992869817e-08 6.787330300610446e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -8.830984100000000e-01 -3.000000003972048e-08 -6.787330325728615e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.830983500000000e-01 2.999999992869817e-08 6.787330300610446e-02 PASS