Match comparison for Hartree energy (match type 26097)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.988936413230000e+03 | 2.750000000000000e-05 | 3.988936431620345e+03 | 1.482112764915786e-05 | 3.988936413230000e+03 | 2.496000001883658e-05 | PASS |
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Detailed information
Reference: 3988.9364132299997, precision: 0.0000275| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 3.988936437970000e+03 | 2.474000029906165e-05 | 8.996363745113326e-01 | PASS |
| spack_foss-2022a_serial_opt | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| spack_foss-2022a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| spack_foss-2022a_serial | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| foss-2022a_opt | 3.988936432280000e+03 | 1.905000044644112e-05 | 6.927272889614952e-01 | PASS |
| intel-2022b | 3.988936432950000e+03 | 1.972000018213294e-05 | 7.170909157139249e-01 | PASS |
| intel-2022a | 3.988936432950000e+03 | 1.972000018213294e-05 | 7.170909157139249e-01 | PASS |
| spack_foss-2022a_serial_omp | 3.988936438040000e+03 | 2.481000046827830e-05 | 9.021818352101201e-01 | PASS |
| spack_foss-2022a_serial_debug | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| foss-2022a_omp | 3.988936437240000e+03 | 2.401000028839917e-05 | 8.730909195781515e-01 | PASS |
| spack_foss-2022a_mpi | 3.988936436860000e+03 | 2.363000021432526e-05 | 8.592727350663732e-01 | PASS |
| intel-2022a_omp | 3.988936435550000e+03 | 2.232000042567961e-05 | 8.116363791156221e-01 | PASS |
| intel-2022a_impi | 3.988936437490000e+03 | 2.426000037303311e-05 | 8.821818317466584e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.988936437400000e+03 | 2.417000041532447e-05 | 8.789091060117987e-01 | PASS |
| spack_foss-2022a_mpi_omp | 3.988936437860000e+03 | 2.463000009811367e-05 | 8.956363672041334e-01 | PASS |
| eb_fosscuda-2022a | 3.988936438190000e+03 | 2.496000024621026e-05 | 9.076363725894638e-01 | PASS |
| cmake_foss_2022a_full_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| foss-2022a_mpi_omp | 3.988936437900000e+03 | 2.467000012984499e-05 | 8.970909138125451e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936437800000e+03 | 2.457000027789036e-05 | 8.934545555596494e-01 | PASS |
| eb_foss-2022a | 3.988936434050000e+03 | 2.082000037262333e-05 | 7.570909226408482e-01 | PASS |
| eb_foss-2022b_libxc6 | 3.988936436920000e+03 | 2.369000003454858e-05 | 8.614545467108572e-01 | PASS |
| intel-2022a_omp_impi | 3.988936438050000e+03 | 2.482000036252430e-05 | 9.025454677281562e-01 | PASS |
| eb_foss-2022a_debug | 3.988936434050000e+03 | 2.082000037262333e-05 | 7.570909226408482e-01 | PASS |
| eb_foss-2022a_mpi | 3.988936437880000e+03 | 2.465000034135301e-05 | 8.963636487764729e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.988936438020000e+03 | 2.479000022503897e-05 | 9.014545536377806e-01 | PASS |
| eb_foss-2022a_mpi_debug | 3.988936436320000e+03 | 2.309000046807341e-05 | 8.396363806572150e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.988936436400000e+03 | 2.317000007678871e-05 | 8.425454573377713e-01 | PASS |
| intel-2022b_impi | 3.988936437030000e+03 | 2.380000023549655e-05 | 8.654545540180565e-01 | PASS |