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

Commits > Commit fa579c158b779976d5f0fa5d04f6d011c21f022f > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.973097900000000e-01 1.000000000000000e-04 -2.973146144558234e-01 1.694791751079218e-14 -2.973146144558319e-01 3.241851231905457e-14 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.29730979, precision: 0.0001
Run Value Difference Relative difference Status
spack_foss-2023a_serial_opt -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_foss-2022a_serial -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_foss-2023a_serial -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_foss-2023b_serial -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_foss-2022a_ppc -2.973146144558323e-01 -4.824455832330710e-06 -4.824455832330710e-02 PASS
spack_foss-2023a_serial_omp -2.973146144558446e-01 -4.824455844598674e-06 -4.824455844598674e-02 PASS
cmake_foss_2022a_full_mpi -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_foss-2022a_cuda_serial -2.973146144558229e-01 -4.824455822893814e-06 -4.824455822893814e-02 PASS
cmake_foss_2022a_full_serial -2.973146144558194e-01 -4.824455819341100e-06 -4.824455819341100e-02 PASS
spack_intel-2023a_serial -2.973146144558643e-01 -4.824455864305133e-06 -4.824455864305133e-02 PASS
spack_intel-2022a_serial_omp -2.973146144557995e-01 -4.824455799468108e-06 -4.824455799468108e-02 PASS
spack_intel-2023a_serial_omp -2.973146144557995e-01 -4.824455799468108e-06 -4.824455799468108e-02 PASS