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 | 3.988936431185926e+03 | 1.528301342799732e-05 | 3.988936413230000e+03 | 2.496000001883658e-05 | PASS |
Checks for this match
- GPU builders have different values.
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Detailed information
Reference: 3988.9364132299997, precision: 0.0000275| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | 3.988936388270000e+03 | -2.495999979146291e-05 | -9.076363560531966e-01 | PASS |
| 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 | 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 |
| cmake_foss_2022a_full_mpi | 3.988936433950000e+03 | 2.072000006592134e-05 | 7.534545478516851e-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 |
| 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 |
| intel-2022a_omp | 3.988936435550000e+03 | 2.232000042567961e-05 | 8.116363791156221e-01 | PASS |
| intel-2022b_impi | 3.988936438040000e+03 | 2.481000046827830e-05 | 9.021818352101201e-01 | PASS |
| intel-2022a_impi | 3.988936437870000e+03 | 2.464000044710701e-05 | 8.960000162584368e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.988936437660000e+03 | 2.443000039420440e-05 | 8.883636506983418e-01 | PASS |
| foss-2022a_mpi_omp | 3.988936438010000e+03 | 2.478000033079297e-05 | 9.010909211197444e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.988936438090000e+03 | 2.486000039425562e-05 | 9.040000143365681e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.988936438000000e+03 | 2.477000043654698e-05 | 9.007272886017084e-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 |
| eb_foss-2022a_debug | 3.988936434050000e+03 | 2.082000037262333e-05 | 7.570909226408482e-01 | PASS |
| intel-2022a_omp_impi | 3.988936437740000e+03 | 2.451000045766705e-05 | 8.912727439151653e-01 | PASS |
| eb_foss-2022a_mpi | 3.988936437630000e+03 | 2.440000025671907e-05 | 8.872727366079660e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.988936436960000e+03 | 2.373000006627990e-05 | 8.629090933192690e-01 | PASS |
| eb_foss-2022a_mpi_debug | 3.988936437750000e+03 | 2.452000035191304e-05 | 8.916363764332015e-01 | PASS |