Match comparison for z (C1) (t=400 au) (match type 26050)

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 11-dftbplus_ehrenfest.01-benzene.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
1.340356350000000e+00 1.000000000000000e-04 1.340363625098074e+00 1.767363978692225e-14 1.340363625098089e+00 3.408384685599231e-14 PASS

Checks for this match

  • OpenMP builders have different values.
  • Intel® builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 1.34035635, precision: 0.0001
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-full] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_autotools: [foss2023b-serial] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_opt_autotools: [foss2023a-serial] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_autotools: [foss2023a-serial] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_autotools: [foss2022a-serial] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
intel_autotools: [intel2023a-serial] 1.340363625098123e+00 7.275098122816459e-06 7.275098122816459e-02 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 1.340363625098070e+00 7.275098070191888e-06 7.275098070191888e-02 PASS
foss_omp_autotools: [foss2023a-serial] 1.340363625098055e+00 7.275098054648765e-06 7.275098054648765e-02 PASS
foss_ppc_autotools: [foss2022a-serial] 1.340363625098057e+00 7.275098056869211e-06 7.275098056869211e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 1.340363625098091e+00 7.275098090842036e-06 7.275098090842036e-02 PASS