Match comparison for Hartree energy (match type 25120)

Commits > Commit f2f698c8a25f386898063905e7c5eb25847969e0 > Input 12-boron_nitride.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-5.242796937400001e+02 7.040000000000000e-07 -5.242796936696429e+02 4.736445424883107e-07 -5.242796937400001e+02 6.399999961104186e-07 PASS
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Detailed information

Reference: -524.2796937400001, precision: 0.000000704
Run Value Difference Relative difference Status
foss-2022a_ppc -5.242796941399999e+02 -3.999998625658918e-07 -5.681816229629145e-01 PASS
spack_foss-2022a_serial_min -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
spack_foss-2022a_serial -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
cmake_foss_2022a_full_serial -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
foss-2022a_opt -5.242796943600000e+02 -6.199999234013376e-07 -8.806817093769000e-01 PASS
intel-2022b -5.242796931000000e+02 6.400000529538374e-07 9.090909843094283e-01 PASS
intel-2022a -5.242796931000000e+02 6.400000529538374e-07 9.090909843094283e-01 PASS
foss-2022a_omp -5.242796941399999e+02 -3.999998625658918e-07 -5.681816229629145e-01 PASS
cmake_foss_2022a_full_mpi -5.242796933900000e+02 3.500000502754119e-07 4.971591623230283e-01 PASS
cmake_foss_2022a_min_serial -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
spack_foss-2022a_serial_debug -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
cmake_foss_2022a_min_mpi -5.242796933900000e+02 3.500000502754119e-07 4.971591623230283e-01 PASS
eb_fosscuda-2022a -5.242796933200000e+02 4.200001058052294e-07 5.965910593824282e-01 PASS
intel-2022a_omp -5.242796933500000e+02 3.900000820067362e-07 5.539773892141140e-01 PASS
intel-2022b_impi -5.242796931000000e+02 6.400000529538374e-07 9.090909843094283e-01 PASS
intel-2022a_impi -5.242796931000000e+02 6.400000529538374e-07 9.090909843094283e-01 PASS
eb_fosscuda-2022a_mpi_omp -5.242796934900000e+02 2.500000846339390e-07 3.551137565822997e-01 PASS
foss-2022a_mpi_omp -5.242796941300001e+02 -3.899999683198985e-07 -5.539772277271285e-01 PASS
eb_foss-2022a -5.242796943600000e+02 -6.199999234013376e-07 -8.806817093769000e-01 PASS
eb_foss-2022b_libxc6 -5.242796939999999e+02 -2.599998651930946e-07 -3.693179903311003e-01 PASS
spack_foss-2022a_serial_opt -5.242796933400000e+02 4.000000899395673e-07 5.681819459368853e-01 PASS
eb_foss-2022a_debug -5.242796943600000e+02 -6.199999234013376e-07 -8.806817093769000e-01 PASS
intel-2022a_omp_impi -5.242796933600000e+02 3.800000740739051e-07 5.397728324913426e-01 PASS
spack_foss-2022a_serial_omp -5.242796934199999e+02 3.200001401637564e-07 4.545456536416995e-01 PASS
eb_foss-2022a_mpi -5.242796943600000e+02 -6.199999234013376e-07 -8.806817093769000e-01 PASS
eb_foss-2022b_libxc6_mpi -5.242796939999999e+02 -2.599998651930946e-07 -3.693179903311003e-01 PASS
eb_foss-2022a_mpi_debug -5.242796943600000e+02 -6.199999234013376e-07 -8.806817093769000e-01 PASS
eb_foss-2022a_valgrind -5.242796943800000e+02 -6.399999392669997e-07 -9.090908228224428e-01 PASS