Match comparison for Hartree energy (match type 28946)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.122738752000000e+01 | 3.060000000000000e-07 | 6.522453964809523e+01 | 1.101592531026192e-04 | 6.522465783500000e+01 | 2.058150000010528e-04 | FAIL |
Checks for this match
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Detailed information
Reference: 61.22738752, precision: 0.000000306| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_opt | 6.522453707000000e+01 | 3.997149549999996e+00 | 1.306258022875816e+07 | FAIL |
| spack_foss-2022a_serial_min | 6.522453684000000e+01 | 3.997149319999998e+00 | 1.306257947712418e+07 | FAIL |
| spack_foss-2022a_serial | 6.522453684000000e+01 | 3.997149319999998e+00 | 1.306257947712418e+07 | FAIL |
| foss-2022a_opt | 6.522482470000000e+01 | 3.997437179999999e+00 | 1.306352019607843e+07 | FAIL |
| intel-2022b | 6.522446257999999e+01 | 3.997075059999993e+00 | 1.306233679738560e+07 | FAIL |
| intel-2022a | 6.522446257999999e+01 | 3.997075059999993e+00 | 1.306233679738560e+07 | FAIL |
| spack_foss-2022a_serial_omp | 6.522445612999999e+01 | 3.997068609999992e+00 | 1.306231571895422e+07 | FAIL |
| foss-2022a_omp | 6.522486365000000e+01 | 3.997476130000003e+00 | 1.306364748366014e+07 | FAIL |
| foss-2022a_ppc | 6.522454270999999e+01 | 3.997155189999994e+00 | 1.306259866013070e+07 | FAIL |
| spack_foss-2022a_serial_debug | 6.522453684000000e+01 | 3.997149319999998e+00 | 1.306257947712418e+07 | FAIL |
| intel-2022a_omp | 6.522456643000000e+01 | 3.997178909999995e+00 | 1.306267617647057e+07 | FAIL |
| intel-2022b_impi | 6.522445202000000e+01 | 3.997064500000000e+00 | 1.306230228758170e+07 | FAIL |
| intel-2022a_impi | 6.522445202000000e+01 | 3.997064500000000e+00 | 1.306230228758170e+07 | FAIL |
| foss-2022a_mpi_omp | 6.522452552000000e+01 | 3.997138000000000e+00 | 1.306254248366013e+07 | FAIL |
| eb_foss-2022a | 6.522447010000000e+01 | 3.997082580000004e+00 | 1.306236137254903e+07 | FAIL |
| eb_foss-2022b_libxc6 | 6.522447613999999e+01 | 3.997088619999992e+00 | 1.306238111111109e+07 | FAIL |
| intel-2022a_omp_impi | 6.522445987000000e+01 | 3.997072350000003e+00 | 1.306232794117648e+07 | FAIL |
| eb_foss-2022a_mpi | 6.522460993000000e+01 | 3.997222409999999e+00 | 1.306281833333333e+07 | FAIL |
| eb_foss-2022a_debug | 6.522447010000000e+01 | 3.997082580000004e+00 | 1.306236137254903e+07 | FAIL |
| eb_foss-2022b_libxc6_mpi | 6.522448061000000e+01 | 3.997093090000000e+00 | 1.306239571895425e+07 | FAIL |
| eb_foss-2022a_mpi_debug | 6.522460993000000e+01 | 3.997222409999999e+00 | 1.306281833333333e+07 | FAIL |