Match comparison for Force 1 (x) (match type 24713)
Commits >
Commit 2ba62b4e5b3c7dac99914e88831daed234f640f9 >
Input 09-symmetrization_gga.02-spg143_sym.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
1.715890210000000e-01 | 8.580000000000000e-09 | 1.712897993703704e-01 | 1.057908216944005e-03 | 1.695692750000000e-01 | 2.019746000000003e-03 | 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: 0.171589021, precision: 0.00000000858Run | Value | Difference | Relative difference | Status |
cmake_foss_2022a_full_serial | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-2022a_ppc | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
spack_foss-2022a_serial_min | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
spack_foss-2022a_serial_opt | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
spack_foss-2022a_serial | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-2022a_opt | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-2022b | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-2022a | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
cmake_foss_2022a_full_mpi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
spack_foss-2022a_serial_omp | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
spack_foss-2022a_serial_debug | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-2022a_omp | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_fosscuda-2022a | 1.675495290000000e-01 | -4.039492000000006e-03 | -4.708032634032640e+05 | FAIL |
intel-2022a_omp | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-2022b_impi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-2022a_impi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_fosscuda-2022a_mpi_omp | 1.675495290000000e-01 | -4.039492000000006e-03 | -4.708032634032640e+05 | FAIL |
cmake_foss_2022a_min_serial | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
foss-2022a_mpi_omp | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
cmake_foss_2022a_min_mpi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022a | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022b_libxc6 | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022a_debug | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
intel-2022a_omp_impi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022a_mpi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022b_libxc6_mpi | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
eb_foss-2022a_mpi_debug | 1.715890210000000e-01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |