Match comparison for Hartree energy (match type 28510)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 4.641776690000000e+01 | 7.890000000000001e-06 | 4.641777055148147e+01 | 2.292215010856051e-06 | 4.641777041500000e+01 | 3.765000002431407e-06 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: 46.417766900000004, precision: 0.00000789| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| spack_foss-2022a_serial_min | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| foss-2022a_ppc | 4.641776776000000e+01 | 8.599999929970181e-07 | 1.089987316853001e-01 | PASS |
| spack_foss-2022a_serial_opt | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| spack_foss-2022a_serial | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| foss-2022a_opt | 4.641777360000000e+01 | 6.699999993031724e-06 | 8.491761714869105e-01 | PASS |
| intel-2022b | 4.641776925000000e+01 | 2.349999995487906e-06 | 2.978453733191262e-01 | PASS |
| intel-2022a | 4.641776925000000e+01 | 2.349999995487906e-06 | 2.978453733191262e-01 | PASS |
| spack_foss-2022a_serial_omp | 4.641777231000000e+01 | 5.409999992878056e-06 | 6.856780726081186e-01 | PASS |
| cmake_foss_2022a_full_mpi | 4.641777013000000e+01 | 3.229999997245159e-06 | 4.093789603606031e-01 | PASS |
| spack_foss-2022a_serial_debug | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| foss-2022a_omp | 4.641776745000000e+01 | 5.499999957692125e-07 | 6.970849122550221e-02 | PASS |
| intel-2022a_omp | 4.641777063000000e+01 | 3.729999995982780e-06 | 4.727503163476273e-01 | PASS |
| intel-2022b_impi | 4.641776804000000e+01 | 1.139999994848040e-06 | 1.444866913622357e-01 | PASS |
| intel-2022a_impi | 4.641776804000000e+01 | 1.139999994848040e-06 | 1.444866913622357e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 4.641776879000000e+01 | 1.889999992954472e-06 | 2.395437253427721e-01 | PASS |
| eb_fosscuda-2022a | 4.641776890000000e+01 | 1.999999994950485e-06 | 2.534854239480970e-01 | PASS |
| cmake_foss_2022a_min_serial | 4.641777268000000e+01 | 5.779999995070284e-06 | 7.325728764347634e-01 | PASS |
| foss-2022a_mpi_omp | 4.641776939000000e+01 | 2.489999992860703e-06 | 3.155893527073134e-01 | PASS |
| cmake_foss_2022a_min_mpi | 4.641777013000000e+01 | 3.229999997245159e-06 | 4.093789603606031e-01 | PASS |
| eb_foss-2022a | 4.641777360000000e+01 | 6.699999993031724e-06 | 8.491761714869105e-01 | PASS |
| eb_foss-2022b_libxc6 | 4.641777127000000e+01 | 4.369999999198626e-06 | 5.538656526233999e-01 | PASS |
| eb_foss-2022a_debug | 4.641777360000000e+01 | 6.699999993031724e-06 | 8.491761714869105e-01 | PASS |
| intel-2022a_omp_impi | 4.641777418000000e+01 | 7.279999998388575e-06 | 9.226869452963973e-01 | PASS |
| eb_foss-2022a_mpi | 4.641776792000000e+01 | 1.019999999130050e-06 | 1.292775664296641e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 4.641776665000000e+01 | -2.500000064742380e-07 | -3.168567889407326e-02 | PASS |
| eb_foss-2022a_mpi_debug | 4.641776792000000e+01 | 1.019999999130050e-06 | 1.292775664296641e-01 | PASS |