Match comparison for Hartree energy (match type 3414)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 2.955485500000000e-01 | 3.000000000000000e-05 | 2.955543378571429e-01 | 2.601147705787987e-07 | 2.955539050000000e-01 | 5.049999999839905e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.29554855, precision: 0.00003| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| spack_foss-2022a_serial_min | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| foss-2022a_ppc | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| spack_foss-2022a_serial_opt | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| spack_foss-2022a_serial | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| foss-2022a_opt | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022b | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022a | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| spack_foss-2022a_serial_omp | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| cmake_foss_2022a_full_mpi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| spack_foss-2022a_serial_debug | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| foss-2022a_omp | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022a_omp | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022b_impi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022a_impi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 2.955534000000000e-01 | 4.850000000000687e-06 | 1.616666666666896e-01 | PASS |
| eb_fosscuda-2022a | 2.955534000000000e-01 | 4.850000000000687e-06 | 1.616666666666896e-01 | PASS |
| cmake_foss_2022a_min_serial | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| foss-2022a_mpi_omp | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| cmake_foss_2022a_min_mpi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022a | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022b_libxc6 | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022a_debug | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| intel-2022a_omp_impi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022a_mpi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022a_mpi_debug | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |
| eb_foss-2022a_valgrind | 2.955544100000000e-01 | 5.859999999968668e-06 | 1.953333333322889e-01 | PASS |