Match comparison for B3LYP Fock Eigenvalue up (match type 12225)
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-1.019171000000000e+00 | 3.630000000000000e-05 | -1.019199741935484e+00 | 1.621422661245975e-05 | -1.019171000000000e+00 | 3.299999999994974e-05 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: -1.019171, precision: 0.0000363Run | 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-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_autotools: [foss2022a-serial] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_autotools: [foss2023a-serial] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_autotools: [foss2023b-serial] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
intel_autotools: [intel2023a-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 |
intel_omp_autotools: [intel2022a-serial] | -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: [intel2023a-serial] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_mpi_opt_autotools: [foss2023a-mpi] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_mpi_autotools: [foss2022a-mpi] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_mpi_autotools: [foss2023a-mpi] | -1.019204000000000e+00 | -3.299999999994974e-05 | -9.090909090895244e-01 | PASS |
foss_ppc_autotools: [foss2022a-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-serial-min: [foss2023b-serial] | -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_debug_autotools: [foss2023a-mpi] | -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 |
foss-opt-full: [foss2023a-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_mpi_omp_autotools: [foss2023a-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-min: [foss2023a-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_cmake: [foss2023a-mpi, foss-min-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_autotools: [foss2022a-cuda-mpi] | -1.019138000000000e+00 | 3.299999999994974e-05 | 9.090909090895244e-01 | PASS |
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] | -1.019138000000000e+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 |