Match comparison for Eigenvalues sum (match type 30378)

Commits > Commit 4ba99df89cd19114311b0fcb367f44d4f4e26fb8 > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815992680000000e+00 4.620000000000000e-07 -4.815992689600000e+00 1.300301502903929e-07 -4.815992855000000e+00 2.449999998432872e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -4.81599268, precision: 0.000000462
Run Value Difference Relative difference Status
foss-ppc: [foss2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-full] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-cmake-zen4: [foss2023a-serial, ci-foss-min] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] -4.815992750000000e+00 -7.000000046275545e-08 -1.515151525167867e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
foss-serial-full: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
intel_omp_autotools: [intel2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
intel_omp_autotools: [intel2023a-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-serial-full: [foss2023b-serial] -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
intel_mpi_autotools: [intel2023a-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-01 PASS
intel-serial: [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-mpi-debug: [foss2023a-mpi] -4.815992740000000e+00 -6.000000052353016e-08 -1.298701310033120e-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
foss-serial-min: [foss2023a-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-serial-min: [foss2022a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-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
cuda-serial: [foss2022a-cuda-mpi] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS