Match comparison for x (H) (t=200 au) (match type 17041)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.447837823412000e+00 1.000000000000000e-04 1.447837823412291e+00 8.622145910202614e-14 1.447837823412242e+00 1.590949594287849e-13 PASS

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Detailed information

Reference: 1.447837823412, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_intel_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 1.447837823412401e+00 4.012346010995316e-13 4.012346010995316e-09 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 1.447837823412083e+00 8.304468224196171e-14 8.304468224196171e-10 PASS
GCI_foss_autotools: [foss2022a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_autotools: [foss2023a-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS
GCI_foss_autotools: [foss2023b-serial] 1.447837823412274e+00 2.737809978725636e-13 2.737809978725636e-09 PASS