Match comparison for Exchange energy (match type 12054)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.198630448000000e+01 | 2.160000000000000e-06 | -9.198630442481482e+01 | 1.149998486706706e-07 | -9.198630440500000e+01 | 2.049999991982077e-07 | PASS |
Checks do not indicate problems with this match.
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Detailed information
Reference: -91.98630448, precision: 0.00000216| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -9.198630439999999e+01 | 8.000000661922968e-08 | 3.703704010149522e-02 | PASS |
| spack_foss-2022a_serial_min | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2022a_serial_opt | -9.198630436000001e+01 | 1.199999957179898e-07 | 5.555555357314343e-02 | PASS |
| spack_foss-2022a_serial | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| foss-2022a_opt | -9.198630438000001e+01 | 9.999999406318238e-08 | 4.629629354776962e-02 | PASS |
| intel-2022b | -9.198630460000000e+01 | -1.199999957179898e-07 | -5.555555357314343e-02 | PASS |
| intel-2022a | -9.198630460000000e+01 | -1.199999957179898e-07 | -5.555555357314343e-02 | PASS |
| spack_foss-2022a_serial_omp | -9.198630437000000e+01 | 1.100000019960135e-07 | 5.092592685000623e-02 | PASS |
| spack_foss-2022a_serial_debug | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| foss-2022a_omp | -9.198630445000001e+01 | 2.999999537678377e-08 | 1.388888674851100e-02 | PASS |
| cmake_foss_2022a_full_mpi | -9.198630438000001e+01 | 9.999999406318238e-08 | 4.629629354776962e-02 | PASS |
| intel-2022a_omp | -9.198630451000000e+01 | -2.999999537678377e-08 | -1.388888674851100e-02 | PASS |
| eb_fosscuda-2022a | -9.198630434000000e+01 | 1.399999973727972e-07 | 6.481481359851723e-02 | PASS |
| intel-2022b_impi | -9.198630437000000e+01 | 1.100000019960135e-07 | 5.092592685000623e-02 | PASS |
| intel-2022a_impi | -9.198630444000000e+01 | 4.000000330961484e-08 | 1.851852005074761e-02 | PASS |
| cmake_foss_2022a_full_serial | -9.198630436000001e+01 | 1.199999957179898e-07 | 5.555555357314343e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -9.198630442000000e+01 | 6.000000496442226e-08 | 2.777778007612142e-02 | PASS |
| cmake_foss_2022a_min_serial | -9.198630436000001e+01 | 1.199999957179898e-07 | 5.555555357314343e-02 | PASS |
| foss-2022a_mpi_omp | -9.198630438000001e+01 | 9.999999406318238e-08 | 4.629629354776962e-02 | PASS |
| cmake_foss_2022a_min_mpi | -9.198630448000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a | -9.198630457000000e+01 | -9.000000034120603e-08 | -4.166666682463242e-02 | PASS |
| eb_foss-2022b_libxc6 | -9.198630461000000e+01 | -1.300000036508209e-07 | -6.018518687538003e-02 | PASS |
| eb_foss-2022a_debug | -9.198630457000000e+01 | -9.000000034120603e-08 | -4.166666682463242e-02 | PASS |
| intel-2022a_omp_impi | -9.198630455999999e+01 | -7.999999240837496e-08 | -3.703703352239582e-02 | PASS |
| eb_foss-2022a_mpi | -9.198630443000000e+01 | 4.999999703159119e-08 | 2.314814677388481e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -9.198630443000000e+01 | 4.999999703159119e-08 | 2.314814677388481e-02 | PASS |
| eb_foss-2022a_mpi_debug | -9.198630450000000e+01 | -2.000000165480742e-08 | -9.259260025373806e-03 | PASS |