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

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Input 03-xc.b3lyp_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.490569900000000e-01 1.690000000000000e-06 -4.490556315624999e-01 7.445724837794882e-07 -4.490569800000000e-01 1.550000000016816e-06 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
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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] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-serial-min: [foss2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-serial-min: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-serial-min: [foss2023b-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-opt-full: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-serial-full: [foss2023b-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-serial-full: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
intel_autotools: [intel2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
intel_omp_autotools: [intel2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
intel_omp_autotools: [intel2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-omp-full: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-mpi-full: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -4.490585000000000e-01 -1.510000000037870e-06 -8.934911242827633e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-mpi-min: [foss2022a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-mpi-min: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -4.490585300000000e-01 -1.540000000022079e-06 -9.112426035633605e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
foss-ppc: [foss2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS