Match comparison for Hartree-Fock energy Total (match type 12221)

Commits > Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a > Input 03-xc.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.075695600000000e-01 8.729999999999999e-06 -7.075626365625000e-01 3.828805794049089e-06 -7.075695600000000e-01 7.939999999984071e-06 PASS

Checks for this match

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

Reference: -0.70756956, precision: 0.00000873
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-serial-min: [foss2022a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-serial-min: [foss2023b-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-serial-min: [foss2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-serial-full: [foss2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-serial-full: [foss2023b-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-ppc: [foss2022a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-opt-full: [foss2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel_omp_autotools: [intel2022a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel_omp_autotools: [intel2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel-serial: [intel2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-serial-debug: [foss2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-omp-full: [foss2023a-serial] -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-mpi-opt-full: [foss2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-mpi-full: [foss2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-mpi-min: [foss2022a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-mpi-min: [foss2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-mpi-debug: [foss2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-mpi-omp-full: [foss2023a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
cuda-serial: [foss2022a-cuda-mpi] -7.075774300000000e-01 -7.869999999909894e-06 -9.014891179736420e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -7.075775000000000e-01 -7.939999999928560e-06 -9.095074455817366e-01 PASS