Match comparison for B3LYP Fock Eigenvalue dn (match type 12226)

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > Input 03-xc.b3lyp_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.379245000000000e-01 3.910000000000000e-05 -8.379545384615386e-01 1.891932420576388e-05 -8.379245000000000e-01 3.550000000002163e-05 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
  • Intel® builders have different values.
    Zen 4 builders have different values.
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Detailed information

Reference: -0.8379245, precision: 0.0000391
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-opt-full: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-full: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-full: [foss2023b-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-ppc: [foss2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-min: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-min: [foss2023b-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-debug: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-omp-full: [foss2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-full: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-min: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel-serial: [intel2023a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-serial-min: [foss2022a-serial] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss-mpi-min: [foss2022a-mpi] -8.379600000000000e-01 -3.550000000007714e-05 -9.079283887487758e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -8.378890000000000e-01 3.549999999996611e-05 9.079283887459364e-01 PASS