Match comparison for B3LYP OEP Int[n*v_xc] (match type 12234)

Commits > Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d > Input 03-xc.b3lyp_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.490569900000000e-01 1.690000000000000e-06 -4.350226109374999e-01 7.813236742770618e-02 -2.245292750000000e-01 2.245292750000000e-01 FAIL

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Detailed information

Reference: -0.44905699, precision: 0.00000169
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-min: [foss2022a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-min: [foss2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
intel-serial: [intel2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-full: [foss2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-opt-full: [foss2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-min: [foss2023b-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-full: [foss2023b-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-ppc: [foss2022a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
intel_omp_autotools: [intel2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-omp-full: [foss2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
intel_omp_autotools: [intel2022a-serial] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-full: [foss2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-min: [foss2022a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-min: [foss2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.490555000000000e-01 1.489999999992886e-06 8.816568047295184e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 0.000000000000000e+00 4.490569900000000e-01 2.657141952662722e+05 FAIL
cuda-serial: [foss2022a-cuda-mpi] -4.490585500000000e-01 -1.560000000011552e-06 -9.230769230837587e-01 PASS