Match comparison for y (H6) (t=400 au) (match type 26061)

Commits > Commit 32ddd3547162625b90bad3fe3e58ca7314bc5873 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.689228270000000e+00 1.000000000000000e-04 -1.689233766770292e+00 6.523825365139730e-14 -1.689233766770359e+00 1.149080830487037e-13 PASS

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Detailed information

Reference: -1.68922827, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc -1.689233766770260e+00 -5.496770259627581e-06 -5.496770259627581e-02 PASS
eb_fosscuda-2022a -1.689233766770337e+00 -5.496770336677059e-06 -5.496770336677059e-02 PASS
cmake_foss_2022a_full_serial -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
cmake_foss_2022a_full_mpi -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
eb_foss-2022a -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
eb_foss-2022b_libxc6 -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-2022a_opt -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
foss-2022a_omp -1.689233766770474e+00 -5.496770474344714e-06 -5.496770474344714e-02 PASS
intel-2022a -1.689233766770312e+00 -5.496770311586019e-06 -5.496770311586019e-02 PASS
intel-2022b -1.689233766770272e+00 -5.496770271840035e-06 -5.496770271840035e-02 PASS
intel-2022a_omp -1.689233766770358e+00 -5.496770357549252e-06 -5.496770357549252e-02 PASS
spack_foss-2022a_serial -1.689233766770245e+00 -5.496770244528548e-06 -5.496770244528548e-02 PASS
spack_foss-2022a_serial_omp -1.689233766770313e+00 -5.496770312696242e-06 -5.496770312696242e-02 PASS