Match comparison for XCrySDen wf 4 (match type 15584)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 7.238401100039000e-03 | 1.000000000000000e-06 | 7.238581592142000e-03 | 0.000000000000000e+00 | 7.238581592142000e-03 | 0.000000000000000e+00 | PASS |
Checks for this match
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: 0.007238401100039, precision: 0.000001| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| spack_foss-2022a_serial_min | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| foss-2022a_ppc | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| spack_foss-2022a_serial_opt | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| spack_foss-2022a_serial | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| foss-2022a_opt | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022b | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022a | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| spack_foss-2022a_serial_omp | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| cmake_foss_2022a_full_mpi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| spack_foss-2022a_serial_debug | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| foss-2022a_omp | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022a_omp | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022b_impi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022a_impi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_fosscuda-2022a | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| cmake_foss_2022a_min_serial | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| foss-2022a_mpi_omp | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| cmake_foss_2022a_min_mpi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022a | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022b_libxc6 | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022a_debug | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| intel-2022a_omp_impi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022a_mpi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022a_mpi_debug | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |
| eb_foss-2022a_valgrind | 7.238581592142000e-03 | 1.804921030005083e-07 | 1.804921030005083e-01 | PASS |