Match comparison for Free energy (match type 538)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.944858610000000e+00 | 1.000000000000000e-04 | -1.944806295925926e+00 | 7.568661472641875e-07 | -1.944805065000000e+00 | 1.444999999988816e-06 | 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: -1.94485861, precision: 0.0001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_foss-2022a | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_fosscuda-2022a | -1.944803620000000e+00 | 5.498999999997700e-05 | 5.498999999997700e-01 | PASS |
| eb_foss-2022a_debug | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_foss-2022a_mpi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| foss-2022a_opt | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| foss-2022a_omp | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022a | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022b | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.944803620000000e+00 | 5.498999999997700e-05 | 5.498999999997700e-01 | PASS |
| spack_foss-2022a_serial | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022a_omp | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022a_impi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022b_impi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| spack_foss-2022a_serial_min | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| foss-2022a_mpi_omp | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |
| intel-2022a_omp_impi | -1.944806510000000e+00 | 5.209999999999937e-05 | 5.209999999999937e-01 | PASS |