Match comparison for y (C3) (t=400 au) (match type 26046)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
9.455055999999999e-01 1.000000000000000e-04 9.455131180888253e-01 1.257047887818316e-14 9.455131180888163e-01 2.392530618067212e-14 PASS

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Detailed information

Reference: 0.9455056, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc 9.455131180887925e-01 7.518088792513034e-06 7.518088792513034e-02 PASS
cmake_foss_2022a_full_serial 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
cmake_foss_2022a_full_mpi 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
eb_foss-2022a 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
eb_foss-2022b_libxc6 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
foss-2022a_opt 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
eb_fosscuda-2022a 9.455131180888035e-01 7.518088803504241e-06 7.518088803504241e-02 PASS
intel-2022a 9.455131180888178e-01 7.518088817826118e-06 7.518088817826118e-02 PASS
foss-2022a_omp 9.455131180888403e-01 7.518088840363646e-06 7.518088840363646e-02 PASS
intel-2022b 9.455131180888371e-01 7.518088837143999e-06 7.518088837143999e-02 PASS
spack_foss-2022a_serial 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
intel-2022a_omp 9.455131180888270e-01 7.518088827040970e-06 7.518088827040970e-02 PASS
spack_foss-2022a_serial_opt 9.455131180888308e-01 7.518088830815728e-06 7.518088830815728e-02 PASS
spack_foss-2022a_serial_omp 9.455131180888204e-01 7.518088820490654e-06 7.518088820490654e-02 PASS