Match comparison for Fz (H) (t=200 au) (match type 17055)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
4.530246916387000e-03 1.000000000000000e-04 4.530246916161168e-03 1.440632263091854e-13 4.530246916284439e-03 2.750855099264982e-13 PASS

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Detailed information

Reference: 0.004530246916387, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_foss_opt_autotools: [foss2023a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_intel_autotools: [intel2023a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
GCI_foss_omp_autotools: [foss2023a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_intel_omp_autotools: [intel2022a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
GCI_intel_omp_autotools: [intel2023a-serial] 4.530246916009353e-03 -3.776466986349369e-13 -3.776466986349369e-09 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] 4.530246916559524e-03 1.725243212180594e-13 1.725243212180594e-09 PASS
GCI_foss_autotools: [foss2022a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_foss_autotools: [foss2023a-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS
GCI_foss_autotools: [foss2023b-serial] 4.530246916169323e-03 -2.176774385742597e-13 -2.176774385742597e-09 PASS