Match comparison for Hartree energy (numerical) (match type 21732)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Input 05-hartree_3d_fft.04-3d_3d_periodic.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 3.497836148185000e-01 | 1.750000000000000e-12 | 3.497836148181819e-01 | 8.881784197001252e-16 | 3.497836148181831e-01 | 1.887379141862766e-15 | PASS |
Checks for this match
- MPI builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.3497836148185, precision: 0.00000000000175| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| spack_foss-2022a_serial_min | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| foss-2022a_ppc | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| spack_foss-2022a_serial_opt | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| spack_foss-2022a_serial | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| foss-2022a_opt | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| intel-2022b | 3.497836148181815e-01 | -3.185229857649574e-13 | -1.820131347228328e-01 | PASS |
| intel-2022a | 3.497836148181815e-01 | -3.185229857649574e-13 | -1.820131347228328e-01 | PASS |
| spack_foss-2022a_serial_omp | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| cmake_foss_2022a_full_mpi | 3.497836148181824e-01 | -3.176348073452573e-13 | -1.815056041972899e-01 | PASS |
| spack_foss-2022a_serial_debug | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| foss-2022a_omp | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| intel-2022a_omp | 3.497836148181815e-01 | -3.185229857649574e-13 | -1.820131347228328e-01 | PASS |
| intel-2022b_impi | 3.497836148181828e-01 | -3.171907181354072e-13 | -1.812518389345184e-01 | PASS |
| intel-2022a_impi | 3.497836148181828e-01 | -3.171907181354072e-13 | -1.812518389345184e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 3.497836148181827e-01 | -3.173017404378697e-13 | -1.813152802502113e-01 | PASS |
| eb_fosscuda-2022a | 3.497836148181813e-01 | -3.186895192186512e-13 | -1.821082966963721e-01 | PASS |
| cmake_foss_2022a_min_serial | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| foss-2022a_mpi_omp | 3.497836148181825e-01 | -3.175237850427948e-13 | -1.814421628815970e-01 | PASS |
| cmake_foss_2022a_min_mpi | 3.497836148181850e-01 | -3.150257832373882e-13 | -1.800147332785075e-01 | PASS |
| eb_foss-2022a | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| eb_foss-2022b_libxc6 | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| eb_foss-2022a_debug | 3.497836148181812e-01 | -3.188005415211137e-13 | -1.821717380120650e-01 | PASS |
| intel-2022a_omp_impi | 3.497836148181828e-01 | -3.171907181354072e-13 | -1.812518389345184e-01 | PASS |
| eb_foss-2022a_mpi | 3.497836148181825e-01 | -3.175237850427948e-13 | -1.814421628815970e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 3.497836148181825e-01 | -3.175237850427948e-13 | -1.814421628815970e-01 | PASS |
| eb_foss-2022a_mpi_debug | 3.497836148181825e-01 | -3.175237850427948e-13 | -1.814421628815970e-01 | PASS |