Match comparison for Fx (O) (t=200 au) (match type 17047)

Commits > Commit b27eded3d993de0343d6f1363463df82eb2e5c60 > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.599062880002000e-13 1.000000000000000e-04 1.648983220547139e-15 3.136753968203761e-15 3.737702635569978e-15 3.779335998993421e-15 PASS

Checks for this match

    Zen 4 builders have different values.
  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.0000000000005599062880002, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS
foss-ppc: [foss2022a-serial] 5.657189633811774e-17 -5.598497161038619e-13 -5.598497161038618e-09 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-mpi-full: [foss2023a-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] 7.517038634563398e-15 -5.523892493656366e-13 -5.523892493656366e-09 PASS
foss-opt-full: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS