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

Commits > Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e > Input 03-xc.b3lyp_oep.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.490569900000000e-01 1.690000000000000e-06 -4.490554384615384e-01 9.880948159658960e-09 -4.490554400000000e-01 1.000000002249202e-08 PASS

Checks for this match

  • MPI builders have different values.
  • Mid point of values far away from reference. Recentering may be necessary.
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Detailed information

Reference: -0.44905699, precision: 0.00000169
Run Value Difference Relative difference Status
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -4.490554300000000e-01 1.560000000011552e-06 9.230769230837587e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -4.490554500000000e-01 1.539999999966568e-06 9.112426035305137e-01 PASS