Match comparison for Eigenvalues sum (match type 30378)

Commits > Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca > Input 31-acetylene_b3lyp.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.815992680000000e+00 4.620000000000000e-07 -4.815992825555555e+00 2.361548977852634e-07 -4.815992870000001e+00 2.599999997521252e-07 PASS

Checks for this match

  • GPU 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-serial-zen4: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
intel-serial: [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
intel-min-parallel: [intel2022a-mpi] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
intel-parallel: [intel2023a-mpi] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-parallel-zen4: [foss2023a-mpi] -4.815993130000000e+00 -4.499999999296733e-07 -9.740259738737518e-01 PASS
foss-min-parallel-zen4: [foss2023a-mpi] -4.815993100000000e+00 -4.200000001119975e-07 -9.090909093333278e-01 PASS
autotools_foss_mpi_omp: [foss2023a-mpi] -4.815993060000000e+00 -3.800000003550963e-07 -8.225108232794293e-01 PASS
foss-serial: [foss2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-parallel-debug: [foss2023a-mpi] -4.815993080000000e+00 -4.000000002335469e-07 -8.658008663063785e-01 PASS
ppc: [foss2023a-serial] -4.815992660000000e+00 1.999999987845058e-08 4.329004302694931e-02 PASS
cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
autotools_intel_mpi_omp: [intel2023a-mpi] -4.815993090000000e+00 -4.100000001727722e-07 -8.874458878198532e-01 PASS
intel-serial-debug: [intel2023a-serial] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-parallel: [foss2023a-mpi] -4.815993060000000e+00 -3.800000003550963e-07 -8.225108232794293e-01 PASS
foss-min-parallel: [foss2023b-mpi] -4.815993080000000e+00 -4.000000002335469e-07 -8.658008663063785e-01 PASS
intel-parallel-debug: [intel2023a-mpi] -4.815992610000000e+00 6.999999957457703e-08 1.515151505943226e-01 PASS
foss-min-parallel: [foss2022a-mpi] -4.815993110000000e+00 -4.300000000512227e-07 -9.307359308468025e-01 PASS