Match comparison for Exchange energy (match type 20687)

Commits > Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.529563100000000e-01 3.760000000000000e-07 -7.529563065517240e-01 7.998216200180996e-09 -7.529563100000001e-01 9.999999994736442e-09 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -0.75295631, precision: 0.000000376
Run Value Difference Relative difference Status
foss_min_autotools: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_min_autotools: [foss2022a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_opt_autotools: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_min_autotools: [foss2023b-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_autotools: [foss2022a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_autotools: [foss2023b-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel_autotools: [intel2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_autotools: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_omp_autotools: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel_omp_autotools: [intel2022a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_debug_autotools: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel_omp_autotools: [intel2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_autotools: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_autotools: [foss2022a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-cmake: [foss2022a-serial, foss-min] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-cmake: [foss2022a-serial, foss-full] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake: [foss2022a-mpi, foss-min-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-cmake: [foss2023a-mpi, foss-full-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-cmake: [foss2022a-mpi, foss-full-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-cmake: [foss2023a-mpi, foss-min-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS