Match comparison for Force 2 (z) (match type 24717)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 09-symmetrization_gga.02-spg143_sym.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 8.638736560000000e-16 | 5.030000000000000e-18 | 8.456080495925928e-16 | 6.985340566251149e-17 | 7.336457285000000e-16 | 1.351661295000000e-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: 0.000000000000000863873656, precision: 0.00000000000000000503| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| foss-2022a_ppc | 8.607548810000000e-16 | -3.118775000000062e-18 | -6.200347912524974e-01 | PASS |
| spack_foss-2022a_serial_min | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| spack_foss-2022a_serial_opt | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| spack_foss-2022a_serial | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| foss-2022a_opt | 8.661284580000000e-16 | 2.254801999999951e-18 | 4.482707753479028e-01 | PASS |
| intel-2022b | 8.641768940000000e-16 | 3.032379999999938e-19 | 6.028588469184767e-02 | PASS |
| intel-2022a | 8.641768940000000e-16 | 3.032379999999938e-19 | 6.028588469184767e-02 | PASS |
| cmake_foss_2022a_full_mpi | 8.674633820000000e-16 | 3.589725999999995e-18 | 7.136632206759433e-01 | PASS |
| spack_foss-2022a_serial_omp | 8.636076880000000e-16 | -2.659679999999986e-19 | -5.287634194830987e-02 | PASS |
| spack_foss-2022a_serial_debug | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| foss-2022a_omp | 8.650866070000000e-16 | 1.212950999999956e-18 | 2.411433399602298e-01 | PASS |
| eb_fosscuda-2022a | 5.984795990000000e-16 | -2.653940570000001e-16 | -5.276223797216701e+01 | FAIL |
| intel-2022a_omp | 8.637686240000000e-16 | -1.050320000000620e-19 | -2.088111332009185e-02 | PASS |
| intel-2022b_impi | 8.644326980000000e-16 | 5.590419999999686e-19 | 1.111415506958188e-01 | PASS |
| intel-2022a_impi | 8.644326980000000e-16 | 5.590419999999686e-19 | 1.111415506958188e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 5.989132800000000e-16 | -2.649603760000000e-16 | -5.267601908548708e+01 | FAIL |
| cmake_foss_2022a_min_serial | 8.660386730000000e-16 | 2.165016999999944e-18 | 4.304208747514800e-01 | PASS |
| foss-2022a_mpi_omp | 8.642311040000000e-16 | 3.574479999999959e-19 | 7.106322067594352e-02 | PASS |
| cmake_foss_2022a_min_mpi | 8.674633820000000e-16 | 3.589725999999995e-18 | 7.136632206759433e-01 | PASS |
| eb_foss-2022a | 8.661284580000000e-16 | 2.254801999999951e-18 | 4.482707753479028e-01 | PASS |
| eb_foss-2022b_libxc6 | 8.688118580000000e-16 | 4.938202000000006e-18 | 9.817499005964225e-01 | PASS |
| eb_foss-2022a_debug | 8.661284580000000e-16 | 2.254801999999951e-18 | 4.482707753479028e-01 | PASS |
| intel-2022a_omp_impi | 8.637211900000000e-16 | -1.524659999999825e-19 | -3.031133200794880e-02 | PASS |
| eb_foss-2022a_mpi | 8.656473430000000e-16 | 1.773686999999994e-18 | 3.526216699801181e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 8.659844620000000e-16 | 2.110806000000021e-18 | 4.196433399602428e-01 | PASS |
| eb_foss-2022a_mpi_debug | 8.656473430000000e-16 | 1.773686999999994e-18 | 3.526216699801181e-01 | PASS |