Match comparison for Hartree energy (match type 25120)
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 |
| cmake_foss_2022a_full_serial | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.681819459368853e-01 | PASS |
| spack_foss-2022a_serial_min | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.681819459368853e-01 | PASS |
| foss-2022a_ppc | -5.242796941399999e+02 | -3.999998625658918e-07 | -5.681816229629145e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.681819459368853e-01 | PASS |
| spack_foss-2022a_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 |
| spack_foss-2022a_serial_omp | -5.242796934199999e+02 | 3.200001401637564e-07 | 4.545456536416995e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.242796933900000e+02 | 3.500000502754119e-07 | 4.971591623230283e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.681819459368853e-01 | PASS |
| foss-2022a_omp | -5.242796941399999e+02 | -3.999998625658918e-07 | -5.681816229629145e-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 |
| eb_fosscuda-2022a | -5.242796933200000e+02 | 4.200001058052294e-07 | 5.965910593824282e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.681819459368853e-01 | PASS |
| foss-2022a_mpi_omp | -5.242796941300001e+02 | -3.899999683198985e-07 | -5.539772277271285e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.242796933900000e+02 | 3.500000502754119e-07 | 4.971591623230283e-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 |
| 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 |
| 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 |