Match comparison for Exchange energy (match type 20687)

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.529563100000000e-01 3.760000000000000e-07 -7.529563080000000e-01 9.797958965975498e-09 -7.529563100000001e-01 9.999999994736442e-09 PASS

Checks for this match

  • MPI 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
intel-serial: [intel2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-serial: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-serial-debug: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel-min-parallel: [intel2022a-mpi] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
ppc: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-parallel-debug: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel-parallel: [intel2023a-mpi] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-parallel: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-min-parallel: [foss2023b-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
address-sanitizer: [foss2023a-serial, ci-foss-full] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-min-parallel: [foss2022a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
intel-serial-debug: [intel2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel-parallel-debug: [intel2023a-mpi] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS