Match comparison for Fy (H) (t=200 au) (match type 17051)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 10-dftbplus_verlet.01-water.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.219451523246000e-17 1.000000000000000e-04 -1.372563558332035e-16 4.769500770635630e-17 -1.196970666864102e-16 6.000816763212272e-17 PASS

Checks for this match

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

Reference: 0.00000000000000005219451523246, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_intel_autotools: [intel2023a-serial] -5.968889905428751e-17 -1.118834142867475e-16 -1.118834142867475e-12 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -5.968889905428751e-17 -1.118834142867475e-16 -1.118834142867475e-12 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -5.968889905428751e-17 -1.118834142867475e-16 -1.118834142867475e-12 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -1.797052343185330e-16 -2.318997495509930e-16 -2.318997495509929e-12 PASS
GCI_foss_autotools: [foss2022a-serial] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_foss_autotools: [foss2023a-serial] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS
GCI_foss_autotools: [foss2023b-serial] -1.644354260976919e-16 -2.166299413301519e-16 -2.166299413301519e-12 PASS