Match comparison for Eigenvalues sum (match type 30378)

Commits > Commit 224605379ecf56495eac19edf712806ff1f57d89 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815992680000000e+00 4.620000000000000e-07 -4.815992689677420e+00 1.202814942506880e-07 -4.815992850000001e+00 2.499999998128999e-07 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: -4.81599268, precision: 0.000000462
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -4.815992600000000e+00 7.999999951380232e-08 1.731601721077972e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -4.815992600000000e+00 7.999999951380232e-08 1.731601721077972e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -4.815992730000000e+00 -4.999999969612645e-08 -1.082251075673733e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-min: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-min: [foss2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-min: [foss2023b-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-opt-full: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-full: [foss2023b-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-full: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
intel_autotools: [intel2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-ppc: [foss2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-serial-debug: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -4.815992760000000e+00 -8.000000040198074e-08 -1.731601740302613e-01 PASS
intel_omp_autotools: [intel2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -4.815992760000000e+00 -8.000000040198074e-08 -1.731601740302613e-01 PASS
intel_omp_autotools: [intel2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-omp-full: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -4.815992760000000e+00 -8.000000040198074e-08 -1.731601740302613e-01 PASS
foss-mpi-full: [foss2023a-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -4.815992720000000e+00 -3.999999975690116e-08 -8.658008605389862e-02 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -4.815992720000000e+00 -3.999999975690116e-08 -8.658008605389862e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
foss-mpi-min: [foss2023a-mpi] -4.815992730000000e+00 -4.999999969612645e-08 -1.082251075673733e-01 PASS
foss-mpi-min: [foss2022a-mpi] -4.815992730000000e+00 -4.999999969612645e-08 -1.082251075673733e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -4.815993060000000e+00 -3.800000003550963e-07 -8.225108232794293e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -4.815993100000000e+00 -4.200000001119975e-07 -9.090909093333278e-01 PASS