Match comparison for Hartree energy (match type 16844)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -5.224783993300000e+02 | 2.610000000000000e-07 | -5.224783993600000e+02 | 0.000000000000000e+00 | -5.224783993600000e+02 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -522.47839933, precision: 0.000000261| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| cmake_foss_2022a_full_serial | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| cmake_foss_2022a_min_serial | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| cmake_foss_2022a_full_mpi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_fosscuda-2022a | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| cmake_foss_2022a_min_mpi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022a | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022a_debug | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022b_libxc6 | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022a_mpi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| foss-2022a_opt | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| foss-2022a_omp | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022a | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022a_mpi_debug | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022b | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| spack_foss-2022a_serial | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022a_omp | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022a_impi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| spack_foss-2022a_serial_min | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| foss-2022a_mpi_omp | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022b_impi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| spack_foss-2022a_serial_debug | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| spack_foss-2022a_serial_omp | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| eb_foss-2022a_valgrind | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |
| intel-2022a_omp_impi | -5.224783993600000e+02 | -3.000002379849320e-08 | -1.149426199175985e-01 | PASS |