Match comparison for Hartree energy (match type 28834)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.647640595000000e+01 | 1.320000000000000e-02 | 1.648822748962963e+01 | 8.790925862333344e-05 | 1.648811675000000e+01 | 1.939799999988168e-04 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 16.47640595, precision: 0.0132| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_serial_min | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| foss-2022a_ppc | 1.648822609000000e+01 | 1.182014000000109e-02 | 8.954651515152340e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| spack_foss-2022a_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| foss-2022a_opt | 1.648816399000000e+01 | 1.175804000000014e-02 | 8.907606060606164e-01 | PASS |
| intel-2022b | 1.648829112000000e+01 | 1.188516999999933e-02 | 9.003916666666162e-01 | PASS |
| intel-2022a | 1.648829112000000e+01 | 1.188516999999933e-02 | 9.003916666666162e-01 | PASS |
| spack_foss-2022a_serial_omp | 1.648825451000000e+01 | 1.184856000000067e-02 | 8.976181818182329e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| spack_foss-2022a_serial_debug | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| foss-2022a_omp | 1.648828454000000e+01 | 1.187858999999847e-02 | 8.998931818180658e-01 | PASS |
| intel-2022a_omp | 1.648805882000000e+01 | 1.165286999999893e-02 | 8.827931818181005e-01 | PASS |
| intel-2022b_impi | 1.648829126000000e+01 | 1.188531000000026e-02 | 9.004022727272925e-01 | PASS |
| intel-2022a_impi | 1.648829126000000e+01 | 1.188531000000026e-02 | 9.004022727272925e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.648826434000000e+01 | 1.185839000000044e-02 | 8.983628787879122e-01 | PASS |
| eb_fosscuda-2022a | 1.648830625000000e+01 | 1.190030000000064e-02 | 9.015378787879273e-01 | PASS |
| cmake_foss_2022a_min_serial | 1.648827412000000e+01 | 1.186816999999962e-02 | 8.991037878787593e-01 | PASS |
| foss-2022a_mpi_omp | 1.648810580000000e+01 | 1.169984999999940e-02 | 8.863522727272274e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.648827559000000e+01 | 1.186964000000046e-02 | 8.992151515151863e-01 | PASS |
| eb_foss-2022a | 1.648816399000000e+01 | 1.175804000000014e-02 | 8.907606060606164e-01 | PASS |
| eb_foss-2022b_libxc6 | 1.648792277000000e+01 | 1.151682000000065e-02 | 8.724863636364129e-01 | PASS |
| eb_foss-2022a_debug | 1.648816399000000e+01 | 1.175804000000014e-02 | 8.907606060606164e-01 | PASS |
| intel-2022a_omp_impi | 1.648831073000000e+01 | 1.190477999999828e-02 | 9.018772727271427e-01 | PASS |
| eb_foss-2022a_mpi | 1.648816398000000e+01 | 1.175802999999931e-02 | 8.907598484847962e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.648822778000000e+01 | 1.182182999999881e-02 | 8.955931818180918e-01 | PASS |
| eb_foss-2022a_mpi_debug | 1.648816398000000e+01 | 1.175802999999931e-02 | 8.907598484847962e-01 | PASS |