Match comparison for Force 3 (z) (match type 24720)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 09-symmetrization_gga.02-spg143_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 1.543515100000000e-15 | 4.560000000000000e-18 | 1.567309170000000e-15 | 8.673693645899890e-17 | 1.709033815000000e-15 | 1.675033050000001e-16 | FAIL |
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: 0.0000000000000015435151, precision: 0.00000000000000000456| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| foss-2022a_ppc | 1.547590180000000e-15 | 4.075079999999958e-18 | 8.936578947368330e-01 | PASS |
| spack_foss-2022a_serial_min | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| spack_foss-2022a_serial_opt | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| spack_foss-2022a_serial | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| foss-2022a_opt | 1.543288950000000e-15 | -2.261499999999100e-19 | -4.959429824559430e-02 | PASS |
| intel-2022b | 1.541530510000000e-15 | -1.984590000000046e-18 | -4.352171052631680e-01 | PASS |
| intel-2022a | 1.541530510000000e-15 | -1.984590000000046e-18 | -4.352171052631680e-01 | PASS |
| cmake_foss_2022a_full_mpi | 1.543241510000000e-15 | -2.735900000000463e-19 | -5.999780701755402e-02 | PASS |
| spack_foss-2022a_serial_omp | 1.543658250000000e-15 | 1.431500000000623e-19 | 3.139254385966279e-02 | PASS |
| spack_foss-2022a_serial_debug | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| foss-2022a_omp | 1.542878980000000e-15 | -6.361200000000542e-19 | -1.395000000000119e-01 | PASS |
| eb_fosscuda-2022a | 1.871332950000000e-15 | 3.278178499999999e-16 | 7.188987938596489e+01 | FAIL |
| intel-2022a_omp | 1.542043810000000e-15 | -1.471289999999967e-18 | -3.226513157894665e-01 | PASS |
| intel-2022b_impi | 1.542624870000000e-15 | -8.902300000000579e-19 | -1.952258771929952e-01 | PASS |
| intel-2022a_impi | 1.542624870000000e-15 | -8.902300000000579e-19 | -1.952258771929952e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 1.876537120000000e-15 | 3.330220200000001e-16 | 7.303114473684212e+01 | FAIL |
| cmake_foss_2022a_min_serial | 1.542186110000000e-15 | -1.328989999999949e-18 | -2.914451754385853e-01 | PASS |
| foss-2022a_mpi_omp | 1.542768870000000e-15 | -7.462299999999514e-19 | -1.636469298245508e-01 | PASS |
| cmake_foss_2022a_min_mpi | 1.543241510000000e-15 | -2.735900000000463e-19 | -5.999780701755402e-02 | PASS |
| eb_foss-2022a | 1.543288950000000e-15 | -2.261499999999100e-19 | -4.959429824559430e-02 | PASS |
| eb_foss-2022b_libxc6 | 1.541559310000000e-15 | -1.955789999999906e-18 | -4.289013157894532e-01 | PASS |
| eb_foss-2022a_debug | 1.543288950000000e-15 | -2.261499999999100e-19 | -4.959429824559430e-02 | PASS |
| intel-2022a_omp_impi | 1.543388900000000e-15 | -1.261999999999585e-19 | -2.767543859648214e-02 | PASS |
| eb_foss-2022a_mpi | 1.542287750000000e-15 | -1.227349999999907e-18 | -2.691557017543657e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 1.543236430000000e-15 | -2.786699999999206e-19 | -6.111184210524574e-02 | PASS |
| eb_foss-2022a_mpi_debug | 1.542287750000000e-15 | -1.227349999999907e-18 | -2.691557017543657e-01 | PASS |