Match comparison for Hartree energy (match type 25120)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.242796937400001e+02 | 7.300000000000000e-07 | -5.242796936713333e+02 | 4.750840815645743e-07 | -5.242796937400001e+02 | 6.399999961104186e-07 | PASS |
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Detailed information
Reference: -524.2796937400001, precision: 0.00000073| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_min_serial | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| foss-2022a_ppc | -5.242796941399999e+02 | -3.999998625658918e-07 | -5.479450172135505e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.242796933900000e+02 | 3.500000502754119e-07 | 4.794521236649478e-01 | PASS |
| foss-2022a_opt | -5.242796943600000e+02 | -6.199999234013376e-07 | -8.493149635634761e-01 | PASS |
| eb_foss-2022b_libxc6 | -5.242796939999999e+02 | -2.599998651930946e-07 | -3.561641988946501e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.242796933900000e+02 | 3.500000502754119e-07 | 4.794521236649478e-01 | PASS |
| eb_foss-2022a | -5.242796943600000e+02 | -6.199999234013376e-07 | -8.493149635634761e-01 | PASS |
| intel-2022a | -5.242796931000000e+02 | 6.400000529538374e-07 | 8.767124013066266e-01 | PASS |
| foss-2022a_omp | -5.242796941399999e+02 | -3.999998625658918e-07 | -5.479450172135505e-01 | PASS |
| eb_foss-2022a_debug | -5.242796943600000e+02 | -6.199999234013376e-07 | -8.493149635634761e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.242796939999999e+02 | -2.599998651930946e-07 | -3.561641988946501e-01 | PASS |
| eb_foss-2022a_mpi | -5.242796943600000e+02 | -6.199999234013376e-07 | -8.493149635634761e-01 | PASS |
| eb_fosscuda-2022a | -5.242796933200000e+02 | 4.200001058052294e-07 | 5.753426106920950e-01 | PASS |
| eb_foss-2022a_mpi_debug | -5.242796943600000e+02 | -6.199999234013376e-07 | -8.493149635634761e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -5.242796942100000e+02 | -4.699999180957093e-07 | -6.438355042406977e-01 | PASS |
| foss-2022a_mpi_omp | -5.242796941300001e+02 | -3.899999683198985e-07 | -5.342465319450664e-01 | PASS |
| intel-2022b | -5.242796931000000e+02 | 6.400000529538374e-07 | 8.767124013066266e-01 | PASS |
| spack_foss-2022a_serial | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| spack_foss-2022a_serial_min | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| intel-2022a_omp | -5.242796933500000e+02 | 3.900000820067362e-07 | 5.342466876804606e-01 | PASS |
| intel-2022a_impi | -5.242796931000000e+02 | 6.400000529538374e-07 | 8.767124013066266e-01 | PASS |
| intel-2022a_omp_impi | -5.242796933600000e+02 | 3.800000740739051e-07 | 5.205480466765824e-01 | PASS |
| spack_foss-2022a_mpi | -5.242796933900000e+02 | 3.500000502754119e-07 | 4.794521236649478e-01 | PASS |
| spack_foss-2022a_serial_opt | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.242796933400000e+02 | 4.000000899395673e-07 | 5.479453286843388e-01 | PASS |
| intel-2022b_impi | -5.242796931000000e+02 | 6.400000529538374e-07 | 8.767124013066266e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.242796934199999e+02 | 3.200001401637564e-07 | 4.383563563887075e-01 | PASS |
| spack_foss-2022a_mpi_omp | -5.242796932799999e+02 | 4.600001375365537e-07 | 6.301371747076078e-01 | PASS |
| eb_foss-2022a_valgrind | -5.242796943800000e+02 | -6.399999392669997e-07 | -8.767122455712325e-01 | PASS |