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

Commits > Commit bf0f47cf3302df97f9487d18148dd4e0cf599eb9 > Input 03-xc.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-7.075695600000000e-01 8.729999999999999e-06 -7.075628596153847e-01 4.216314906463442e-06 -7.075695600000000e-01 7.939999999984071e-06 PASS

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Detailed information

Reference: -0.70756956, precision: 0.00000873
Run Value Difference Relative difference Status
foss-2022a_ppc -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
cmake_foss_2022a_full_serial -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
cmake_foss_2022a_min_serial -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
cmake_foss_2022a_full_mpi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
eb_fosscuda-2022a -7.075774300000000e-01 -7.869999999909894e-06 -9.014891179736420e-01 PASS
cmake_foss_2022a_min_mpi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
eb_foss-2022a -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_foss-2022a_debug -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_foss-2022b_libxc6 -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_foss-2022a_mpi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
foss-2022a_opt -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-2022a_omp -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_foss-2022b_libxc6_mpi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
intel-2022a -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_foss-2022a_mpi_debug -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
intel-2022b -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
eb_fosscuda-2022a_mpi_omp -7.075775000000000e-01 -7.939999999928560e-06 -9.095074455817366e-01 PASS
spack_foss-2022a_serial -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel-2022a_omp -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel-2022a_impi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
spack_foss-2022a_serial_min -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
foss-2022a_mpi_omp -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
intel-2022b_impi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS
spack_foss-2022a_serial_debug -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
spack_foss-2022a_serial_omp -7.075616200000000e-01 7.940000000039582e-06 9.095074455944540e-01 PASS
intel-2022a_omp_impi -7.075616800000000e-01 7.880000000071163e-06 9.026345933643944e-01 PASS