Match comparison for Exchange energy (match type 20687)

Commits > Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.529563100000000e-01 3.760000000000000e-07 -7.529563077419353e-01 9.055270211976244e-09 -7.529563150000000e-01 1.499999996434909e-08 PASS

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Detailed information

Reference: -0.75295631, precision: 0.000000376
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-ppc: [foss2022a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-serial-full: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-serial-full: [foss2023b-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
intel_omp_autotools: [intel2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-serial-min: [foss2022a-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
foss-serial-min: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-serial-min: [foss2023b-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-opt-full: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss_cmake: [foss2022a-serial, foss-min] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel-serial: [intel2023a-serial] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-serial, foss-full] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-omp-full: [foss2023a-serial] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS
foss-mpi-opt-full: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-full: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss-mpi-min: [foss2023a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-mpi-debug: [foss2023a-mpi] -7.529563100000000e-01 0.000000000000000e+00 0.000000000000000e+00 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-mpi-min: [foss2022a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
foss-mpi-omp-full: [foss2023a-mpi] -7.529563300000000e-01 -1.999999998947288e-08 -5.319148933370448e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.529563200000000e-01 -1.000000005024759e-08 -2.659574481448828e-02 PASS
cuda-serial: [foss2022a-cuda-mpi] -7.529563000000000e-01 9.999999939225290e-09 2.659574451921620e-02 PASS