Match comparison for y (C5) (t=400 au) (match type 26048)

Commits > Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.362777940000000e+00 1.000000000000000e-04 -1.362785864004227e+00 1.359247770067417e-14 -1.362785864004217e+00 1.931788062847772e-14 PASS

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Detailed information

Reference: -1.36277794, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc -1.362785864004231e+00 -7.924004230774884e-06 -7.924004230774884e-02 PASS
cmake_foss_2022a_full_serial -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
cmake_foss_2022a_full_mpi -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
eb_foss-2022a -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
eb_foss-2022b_libxc6 -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
foss-2022a_opt -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
eb_fosscuda-2022a -1.362785864004226e+00 -7.924004225667858e-06 -7.924004225667858e-02 PASS
intel-2022a -1.362785864004198e+00 -7.924004197690238e-06 -7.924004197690238e-02 PASS
foss-2022a_omp -1.362785864004205e+00 -7.924004205017710e-06 -7.924004205017710e-02 PASS
intel-2022b -1.362785864004236e+00 -7.924004236325999e-06 -7.924004236325999e-02 PASS
spack_foss-2022a_serial -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
intel-2022a_omp -1.362785864004205e+00 -7.924004205239754e-06 -7.924004205239754e-02 PASS
spack_foss-2022a_serial_opt -1.362785864004236e+00 -7.924004236103954e-06 -7.924004236103954e-02 PASS
spack_foss-2022a_serial_omp -1.362785864004217e+00 -7.924004217452207e-06 -7.924004217452207e-02 PASS