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

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.172809800000000e-01 1.000000000000000e-04 -4.172861028743489e-01 8.842528836868947e-15 -4.172861028743462e-01 1.301736496372996e-14 PASS

Checks for this match

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Detailed information

Reference: -0.41728098, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2023a_serial_opt -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_foss-2022a_serial -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_foss-2022a_ppc -4.172861028743357e-01 -5.122874335627969e-06 -5.122874335627969e-02 PASS
spack_foss-2023a_serial -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_foss-2023b_serial -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_foss-2023a_serial_omp -4.172861028743580e-01 -5.122874357943452e-06 -5.122874357943452e-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_intel_omp_autotools: [intel2023a-serial] -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.172861028743527e-01 -5.122874352669893e-06 -5.122874352669893e-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: [foss2023b-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
cmake_foss_2022a_full_serial -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
cmake_foss_2022a_full_mpi -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_intel-2023a_serial -4.172861028743521e-01 -5.122874352059270e-06 -5.122874352059270e-02 PASS
spack_intel-2022a_serial_omp -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
spack_intel-2023a_serial_omp -4.172861028743332e-01 -5.122874333185479e-06 -5.122874333185479e-02 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -4.172861028743592e-01 -5.122874359220209e-06 -5.122874359220209e-02 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.172861028743531e-01 -5.122874353058471e-06 -5.122874353058471e-02 PASS
spack_foss-2022a_cuda_serial -4.172861028743592e-01 -5.122874359220209e-06 -5.122874359220209e-02 PASS