Match comparison for Total energy (match type 21760)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.115125337000000e+02 | 2.050000000000000e-06 | -1.115125345714286e+02 | 6.799039524996116e-07 | -1.115125334400000e+02 | 1.319999995530452e-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: -111.5125337, precision: 0.00000205| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| spack_foss-2022a_serial_min | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| foss-2022a_ppc | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| spack_foss-2022a_serial | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| foss-2022a_opt | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022b | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022a | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| foss-2022a_omp | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022a_omp | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022b_impi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022a_impi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.115125321200000e+02 | 1.580000002832094e-06 | 7.707317086985823e-01 | PASS |
| eb_fosscuda-2022a | -1.115125321200000e+02 | 1.580000002832094e-06 | 7.707317086985823e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| foss-2022a_mpi_omp | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022a | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022a_debug | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| intel-2022a_omp_impi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022a_mpi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |
| eb_foss-2022a_valgrind | -1.115125347600000e+02 | -1.059999988228810e-06 | -5.170731649896636e-01 | PASS |