Match comparison for B3LYP Fock Correlation (match type 12227)

Commits > Commit b5086f89e5ba3598cb2c5ef57ca1b3f99761e498 > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.734403300000000e-01 3.280000000000000e-06 -2.734429321875000e-01 1.442614238056513e-06 -2.734403250000000e-01 2.985000000010896e-06 PASS

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Detailed information

Reference: -0.27344033, precision: 0.00000328
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-serial-min: [foss2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-serial-min: [foss2022a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-serial-full: [foss2023b-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-serial-full: [foss2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-serial-min: [foss2023b-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-opt-full: [foss2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
intel-serial: [intel2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-serial-debug: [foss2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-ppc: [foss2022a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
intel_omp_autotools: [intel2022a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
intel_omp_autotools: [intel2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-omp-full: [foss2023a-serial] -2.734433000000000e-01 -2.969999999991035e-06 -9.054878048753157e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-mpi-full: [foss2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-mpi-min: [foss2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-mpi-min: [foss2022a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -2.734433100000000e-01 -2.979999999985772e-06 -9.085365853615158e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -2.734373400000000e-01 2.990000000036019e-06 9.115853658646401e-01 PASS
cuda-mpi-omp: [foss2022a-cuda-mpi] -2.734373500000000e-01 2.979999999985772e-06 9.085365853615158e-01 PASS