Match comparison for Exchange energy (match type 25641)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.748179224000000e+02 | 2.370000000000000e-07 | -1.748179225076471e+02 | 9.991345891056296e-08 | -1.748179223750000e+02 | 1.949999983708040e-07 | PASS |
Checks for this match
- GPU builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -174.8179224, precision: 0.000000237| Run | Value | Difference | Relative difference | Status |
| spack_foss-2022a_serial_min | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2023a_serial_min | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_serial | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_ppc | -1.748179224400000e+02 | -4.000000330961484e-08 | -1.687763852726365e-01 | PASS |
| spack_foss-2022a_mpi_min | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2023a_mpi_min | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_mpi_opt | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_intel-2022a_serial_omp | -1.748179224500000e+02 | -5.000001124244591e-08 | -2.109705115715017e-01 | PASS |
| spack_foss-2022a_mpi | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_intel-2023a_impi | -1.748179225400000e+02 | -1.400000257945067e-07 | -5.907174084156399e-01 | PASS |
| spack_foss-2022a_mpi_debug | -1.748179225700000e+02 | -1.700000211712904e-07 | -7.172996673894111e-01 | PASS |
| spack_foss-2022a_cuda_serial | -1.748179221800000e+02 | 2.199999755703175e-07 | 9.282699391152637e-01 | PASS |
| spack_foss-2022a_cuda_mpi_omp | -1.748179224200000e+02 | -2.000001586566214e-08 | -8.438825259773053e-02 | PASS |
| spack_intel-2022a_impi_omp | -1.748179224600000e+02 | -6.000001917527698e-08 | -2.531646378703670e-01 | PASS |
| spack_foss-2022a_valgrind | -1.748179224400000e+02 | -4.000000330961484e-08 | -1.687763852726365e-01 | PASS |