Match comparison for y (H4) (t=400 au) (match type 26059)

Commits > Commit 8520a932a983b5c1584256e5aef0dad9a7dbc2f2 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.454872700000000e-01 1.000000000000000e-04 -7.454904847664342e-01 6.367081207651532e-14 -7.454904847663719e-01 1.396660564978447e-13 PASS
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Detailed information

Reference: -0.74548727, precision: 0.0001
Run Value Difference Relative difference Status
foss-2022a_ppc -7.454904847663855e-01 -3.214766385428725e-06 -3.214766385428725e-02 PASS
cmake_foss_2022a_full_serial -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
spack_foss-2022a_serial -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
foss-2022a_opt -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
intel-2022b -7.454904847664402e-01 -3.214766440162720e-06 -3.214766440162720e-02 PASS
intel-2022a -7.454904847665116e-01 -3.214766511550060e-06 -3.214766511550060e-02 PASS
cmake_foss_2022a_full_mpi -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
foss-2022a_omp -7.454904847662323e-01 -3.214766232217947e-06 -3.214766232217947e-02 PASS
eb_fosscuda-2022a -7.454904847664419e-01 -3.214766441828054e-06 -3.214766441828054e-02 PASS
intel-2022a_omp -7.454904847664368e-01 -3.214766436721028e-06 -3.214766436721028e-02 PASS
eb_foss-2022a -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
eb_foss-2022b_libxc6 -7.454904847664562e-01 -3.214766456149931e-06 -3.214766456149931e-02 PASS
spack_foss-2022a_serial_omp -7.454904847664577e-01 -3.214766457704243e-06 -3.214766457704243e-02 PASS