Match comparison for Total force (match type 20927)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.517883040000000e-16 | 2.950000000000000e-16 | -2.063678445444444e-16 | 1.195104610608289e-16 | -1.110223020000000e-16 | 2.515349040000000e-16 | PASS |
Checks for this match
-
Intel® builders have different values.
- Precision seems large and value close to zero. Should value be 0?
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -0.00000000000000015178830400000004, precision: 0.000000000000000295| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | 7.632783290000000e-17 | 2.281161369000000e-16 | 7.732750403389832e-01 | PASS |
| cmake_foss_2022a_full_serial | -1.977584760000000e-16 | -4.597017199999997e-17 | -1.558310915254236e-01 | PASS |
| spack_foss-2022a_serial | -1.752070710000000e-16 | -2.341876699999996e-17 | -7.938565084745748e-02 | PASS |
| foss-2022a_opt | -2.602085210000000e-16 | -1.084202169999999e-16 | -3.675261593220337e-01 | PASS |
| intel-2022b | -3.538835890000000e-16 | -2.020952850000000e-16 | -6.850687627118643e-01 | PASS |
| intel-2022a | -3.538835890000000e-16 | -2.020952850000000e-16 | -6.850687627118643e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.387778780000000e-16 | 1.301042600000003e-17 | 4.410313898305095e-02 | PASS |
| spack_foss-2022a_serial_debug | -1.752070710000000e-16 | -2.341876699999996e-17 | -7.938565084745748e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.203098810000000e-16 | -6.852157699999995e-17 | -2.322765322033897e-01 | PASS |
| foss-2022a_omp | -1.873501350000000e-16 | -3.556183099999997e-17 | -1.205485796610168e-01 | PASS |
| eb_fosscuda-2022a | -9.367506770000001e-17 | 5.811323630000003e-17 | 1.969940213559323e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.977584760000000e-16 | -4.597017199999997e-17 | -1.558310915254236e-01 | PASS |
| intel-2022a_omp | -3.625572060000000e-16 | -2.107689020000000e-16 | -7.144708542372880e-01 | PASS |
| intel-2022b_impi | -3.504141420000000e-16 | -1.986258380000000e-16 | -6.733079254237286e-01 | PASS |
| intel-2022a_impi | -3.504141420000000e-16 | -1.986258380000000e-16 | -6.733079254237286e-01 | PASS |
| foss-2022a_mpi_omp | -2.324529460000000e-16 | -8.066464199999996e-17 | -2.734394644067795e-01 | PASS |
| eb_foss-2022a | -1.890848590000000e-16 | -3.729655499999996e-17 | -1.264289999999999e-01 | PASS |
| spack_foss-2022a_serial_min | -1.752070710000000e-16 | -2.341876699999996e-17 | -7.938565084745748e-02 | PASS |
| eb_foss-2022b_libxc6 | -1.890848590000000e-16 | -3.729655499999996e-17 | -1.264289999999999e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -7.632783290000000e-17 | 7.546047110000003e-17 | 2.557982071186441e-01 | PASS |
| eb_foss-2022a_debug | -1.890848590000000e-16 | -3.729655499999996e-17 | -1.264289999999999e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.647987300000000e-16 | -1.301042599999996e-17 | -4.410313898305070e-02 | PASS |
| intel-2022a_omp_impi | -3.486794190000000e-16 | -1.968911150000000e-16 | -6.674275084745762e-01 | PASS |
| eb_foss-2022a_mpi | -2.688821390000000e-16 | -1.170938349999999e-16 | -3.969282542372879e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.688821390000000e-16 | -1.170938349999999e-16 | -3.969282542372879e-01 | PASS |
| eb_foss-2022a_mpi_debug | -2.688821390000000e-16 | -1.170938349999999e-16 | -3.969282542372879e-01 | PASS |
| eb_foss-2022a_valgrind | 1.405126020000000e-16 | 2.923009060000000e-16 | 9.908505288135594e-01 | PASS |