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

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
5.599062880002000e-13 1.000000000000000e-04 -4.027531497665479e-17 3.293947856114067e-17 -6.408521350477272e-18 6.298041768859501e-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: 0.0000000000005599062880002, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_intel_autotools: [intel2023a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -6.938893903907228e-17 -5.599756769392390e-13 -5.599756769392390e-09 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 5.657189633811774e-17 -5.598497161038619e-13 -5.598497161038618e-09 PASS
GCI_foss_autotools: [foss2022a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_foss_autotools: [foss2023a-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS
GCI_foss_autotools: [foss2023b-serial] -4.163336342344337e-17 -5.599479213636234e-13 -5.599479213636234e-09 PASS