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 | -9.198630433222223e+01 | 2.124867441088559e-07 | -9.198630403500000e+01 | 6.049999967672193e-07 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Detailed information
Reference: -91.98630448, precision: 0.00000216| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2023a_serial_min | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2023a_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 |
| spack_foss-2023a_serial | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2023b_serial | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2022a_ppc | -9.198630434000000e+01 | 1.399999973727972e-07 | 6.481481359851723e-02 | PASS |
| spack_foss-2023a_mpi_min | -9.198630437000000e+01 | 1.100000019960135e-07 | 5.092592685000623e-02 | PASS |
| spack_foss-2022a_mpi_min | -9.198630437000000e+01 | 1.100000019960135e-07 | 5.092592685000623e-02 | PASS |
| spack_foss-2022a_cuda_serial | -9.198630432000000e+01 | 1.599999990276046e-07 | 7.407407362389104e-02 | PASS |
| spack_foss-2023a_serial_omp | -9.198630435000000e+01 | 1.300000036508209e-07 | 6.018518687538003e-02 | PASS |
| spack_foss-2023a_serial_debug | -9.198630420000001e+01 | 2.799999947455944e-07 | 1.296296271970345e-01 | PASS |
| spack_foss-2023a_mpi_opt | -9.198630446000000e+01 | 2.000000165480742e-08 | 9.259260025373806e-03 | PASS |
| spack_foss-2023a_mpi | -9.198630457000000e+01 | -9.000000034120603e-08 | -4.166666682463242e-02 | PASS |
| spack_foss-2022a_mpi | -9.198630439000000e+01 | 9.000000034120603e-08 | 4.166666682463242e-02 | PASS |
| spack_foss-2023a_mpi_debug | -9.198630444000000e+01 | 4.000000330961484e-08 | 1.851852005074761e-02 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -9.198630442000000e+01 | 6.000000496442226e-08 | 2.777778007612142e-02 | PASS |
| spack_foss-2023a_mpi_omp | -9.198630458000000e+01 | -9.999999406318238e-08 | -4.629629354776962e-02 | PASS |
| cmake_foss_2022a_full_serial | -9.198630436000001e+01 | 1.199999957179898e-07 | 5.555555357314343e-02 | PASS |
| cmake_foss_2022a_min_serial | -9.198630436000001e+01 | 1.199999957179898e-07 | 5.555555357314343e-02 | PASS |
| cmake_foss_2022a_min_mpi | -9.198630343000001e+01 | 1.049999994506834e-06 | 4.861111085679786e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.198630444000000e+01 | 4.000000330961484e-08 | 1.851852005074761e-02 | PASS |
| spack_intel-2023a_serial | -9.198630464000000e+01 | -1.599999990276046e-07 | -7.407407362389104e-02 | PASS |
| spack_intel-2022a_serial_omp | -9.198630438000001e+01 | 9.999999406318238e-08 | 4.629629354776962e-02 | PASS |
| spack_intel-2022a_impi_omp | -9.198630448000000e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| spack_intel-2023a_serial_omp | -9.198630430000000e+01 | 1.800000006824121e-07 | 8.333333364926485e-02 | PASS |
| spack_intel-2023a_impi | -9.198630441000000e+01 | 6.999999868639861e-08 | 3.240740679925862e-02 | PASS |