Match comparison for y (H) (t=200 au) (match type 17042)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
6.025029371038001e-17 1.000000000000000e-04 8.162922992731101e-17 1.292897755518727e-16 -7.190561802904478e-17 2.249536959727979e-16 PASS

Checks for this match

  • Precision seems large and value close to zero. Should value be 0?
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Detailed information

Reference: 0.00000000000000006025029371038, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_intel_autotools: [intel2023a-serial] 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 4.114809919866403e-17 -1.910219451171598e-17 -1.910219451171598e-13 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -2.968593140018426e-16 -3.571096077122226e-16 -3.571096077122226e-12 PASS
GCI_foss_autotools: [foss2022a-serial] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_foss_autotools: [foss2023a-serial] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS
GCI_foss_autotools: [foss2023b-serial] 1.530480779437531e-16 9.279778423337308e-17 9.279778423337307e-13 PASS