Match comparison for Fx (H) (t=200 au) (match type 17053)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.710019608717000e-03 1.000000000000000e-04 -8.710019608313507e-03 3.699954851450728e-14 -8.710019608290209e-03 6.897260540483785e-14 PASS

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Detailed information

Reference: -0.008710019608717, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_intel_autotools: [intel2023a-serial] -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.710019608359182e-03 3.578179419427840e-13 3.578179419427840e-09 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.710019608221237e-03 4.957631527524597e-13 4.957631527524597e-09 PASS
GCI_foss_autotools: [foss2022a-serial] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_foss_autotools: [foss2023a-serial] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS
GCI_foss_autotools: [foss2023b-serial] -8.710019608307112e-03 4.098874017977039e-13 4.098874017977039e-09 PASS