Match comparison for Hartree-Fock eigenvalue up (match type 12222)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 03-xc.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-1.128664000000000e+00 4.400000000000000e-06 -1.128666400000000e+00 3.200000000003200e-06 -1.128664000000000e+00 4.000000000004000e-06 PASS

Checks for this match

  • MPI builders have different values.
  • GPU builders have different values.
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Detailed information

Reference: -1.1286640000000001, precision: 0.0000044
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_autotools: [intel2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
intel_omp_autotools: [intel2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss-omp-full: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss-serial-min: [foss2023b-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss-opt-full: [foss2023a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss-serial-min: [foss2022a-serial] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -1.128668000000000e+00 -3.999999999892978e-06 -9.090909090665859e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -1.128660000000000e+00 4.000000000115023e-06 9.090909091170506e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -1.128660000000000e+00 4.000000000115023e-06 9.090909091170506e-01 PASS