Match comparison for PBE0 Fock Eigenvalue dn (match type 12504)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 03-xc.pbe0_fock.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.208640000000000e-01 3.850000000000000e-05 -8.208850000000000e-01 2.800000000000580e-05 -8.208640000000000e-01 3.500000000000725e-05 PASS

Checks for this match

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

Reference: -0.820864, precision: 0.0000385
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_autotools: [intel2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-omp-full: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-min: [foss2023b-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-opt-full: [foss2023a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-serial-min: [foss2022a-serial] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -8.208990000000000e-01 -3.500000000000725e-05 -9.090909090910974e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -8.208290000000000e-01 3.500000000000725e-05 9.090909090910974e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.208290000000000e-01 3.500000000000725e-05 9.090909090910974e-01 PASS