Match comparison for y (C4) (t=400 au) (match type 26047)

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.172809800000000e-01 1.000000000000000e-04 -4.172861028743485e-01 9.193180530110934e-15 -4.172861028743471e-01 1.393329895904571e-14 PASS

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Detailed information

Reference: -0.41728098, precision: 0.0001
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
GCI_intel_autotools: [intel2023a-serial] -4.172861028743521e-01 -5.122874352059270e-06 -5.122874352059270e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.172861028743611e-01 -5.122874361052077e-06 -5.122874361052077e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -4.172861028743357e-01 -5.122874335627969e-06 -5.122874335627969e-02 PASS
GCI_foss_autotools: [foss2022a-serial] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
GCI_foss_autotools: [foss2023a-serial] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
GCI_foss_autotools: [foss2023b-serial] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS