Match comparison for B3LYP OEP Eigenvalue up (match type 12230)

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

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.019171000000000e+00 3.630000000000000e-05 -1.015294250000000e+00 2.175671579507119e-02 -9.566810000000000e-01 6.252300000000000e-02 FAIL

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Detailed information

Reference: -1.019171, precision: 0.0000363
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-min: [foss2022a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-min: [foss2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
intel-serial: [intel2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-full: [foss2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-opt-full: [foss2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-min: [foss2023b-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-full: [foss2023b-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-ppc: [foss2022a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-omp-full: [foss2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-serial-debug: [foss2023a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
intel_omp_autotools: [intel2022a-serial] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-full: [foss2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-min: [foss2022a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-min: [foss2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -1.019204000000000e+00 -3.299999999994974e-05 -9.090909090895244e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.941580000000000e-01 1.250130000000000e-01 3.443884297520662e+03 FAIL
cuda-serial: [foss2022a-cuda-mpi] -1.019138000000000e+00 3.299999999994974e-05 9.090909090895244e-01 PASS