Match comparison for PBE0 Fock Total (match type 12507)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.803856600000000e-01 1.640000000000000e-05 -9.597020580645159e-01 1.796883357994841e-06 -9.597068150000000e-01 5.084999999960260e-06 FAIL

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Detailed information

Reference: -0.58038566, precision: 0.0000164
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-cmake-zen4: [foss2023a-serial, foss-full] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-min: [foss2022a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-min: [foss2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2022a-serial, foss-min] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2022a-serial, foss-full] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
intel-serial: [intel2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-full: [foss2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-opt-full: [foss2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-min: [foss2023b-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-full: [foss2023b-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-ppc: [foss2022a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
intel_omp_autotools: [intel2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-omp-full: [foss2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2022a-mpi, foss-full-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-serial-debug: [foss2023a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
intel_omp_autotools: [intel2022a-serial] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2023a-mpi, foss-full-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-opt-full: [foss2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2023a-mpi, foss-min-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss_cmake: [foss2022a-mpi, foss-min-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-full: [foss2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
intel_mpi_autotools: [intel2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-min: [foss2022a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-debug: [foss2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-min: [foss2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
foss-mpi-omp-full: [foss2023a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
intel_mpi_omp_autotools: [intel2022a-mpi] -9.597017300000000e-01 -3.793160700000000e-01 -2.312902865853659e+04 FAIL
cuda-serial: [foss2022a-cuda-mpi] -9.597119000000000e-01 -3.793262399999999e-01 -2.312964878048780e+04 FAIL