Match comparison for z (C5) (t=400 au) (match type 26054)

Commits > Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.973097900000000e-01 1.000000000000000e-04 -2.973146144558261e-01 1.912011210040770e-14 -2.973146144558319e-01 3.241851231905457e-14 PASS

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Detailed information

Reference: -0.29730979, precision: 0.0001
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.973146144558592e-01 -4.824455859198107e-06 -4.824455859198107e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.973146144558592e-01 -4.824455859198107e-06 -4.824455859198107e-02 PASS
foss-serial-full: [foss2023a-serial] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
foss-opt-full: [foss2023a-serial] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
intel-serial: [intel2023a-serial] -2.973146144558643e-01 -4.824455864305133e-06 -4.824455864305133e-02 PASS
foss-serial-full: [foss2023b-serial] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
intel_omp_autotools: [intel2022a-serial] -2.973146144557995e-01 -4.824455799468108e-06 -4.824455799468108e-02 PASS
foss-ppc: [foss2022a-serial] -2.973146144558323e-01 -4.824455832330710e-06 -4.824455832330710e-02 PASS
intel_omp_autotools: [intel2023a-serial] -2.973146144557995e-01 -4.824455799468108e-06 -4.824455799468108e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
foss-mpi-full: [foss2023a-mpi] -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.973146144558229e-01 -4.824455822893814e-06 -4.824455822893814e-02 PASS