Match comparison for Number of excited electrons [step 100] (match type 28545)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| 6.185219895782357e-05 | 3.230000000000000e-09 | 6.459711606392964e-05 | 9.700325895764243e-06 | 8.037388844042703e-05 | 1.852047850350869e-05 | 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: 0.00006185219895782357, precision: 0.00000000323| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| foss-2022a_ppc | 6.185343125136855e-05 | 1.232293544983776e-09 | 3.815150294067418e-01 | PASS |
| spack_foss-2022a_serial_min | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_serial_opt | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| spack_foss-2022a_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| foss-2022a_opt | 6.185341487874307e-05 | 1.215920919506175e-09 | 3.764461051102709e-01 | PASS |
| intel-2022b | 6.185340993691835e-05 | 1.210979094778963e-09 | 3.749161284145398e-01 | PASS |
| intel-2022a | 6.185340993691835e-05 | 1.210979094778963e-09 | 3.749161284145398e-01 | PASS |
| cmake_foss_2022a_full_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| spack_foss-2022a_serial_omp | 6.185349199844259e-05 | 1.293040619021468e-09 | 4.003221730716620e-01 | PASS |
| spack_foss-2022a_serial_debug | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| foss-2022a_omp | 6.185343672371335e-05 | 1.237765889783304e-09 | 3.832092538028806e-01 | PASS |
| eb_fosscuda-2022a | 9.889152733538742e-05 | 3.703932837756385e-05 | 1.146728432741915e+04 | FAIL |
| intel-2022a_omp | 6.185346939807657e-05 | 1.270440252998384e-09 | 3.933251557270538e-01 | PASS |
| intel-2022b_impi | 6.185346663417635e-05 | 1.267676352778579e-09 | 3.924694590645757e-01 | PASS |
| intel-2022a_impi | 6.185346663417635e-05 | 1.267676352778579e-09 | 3.924694590645757e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | 9.889436694393572e-05 | 3.704216798611215e-05 | 1.146816346319262e+04 | FAIL |
| cmake_foss_2022a_min_serial | 6.185344043352359e-05 | 1.241475700020089e-09 | 3.843578018638047e-01 | PASS |
| foss-2022a_mpi_omp | 6.185347780807149e-05 | 1.278850247921071e-09 | 3.959288693254089e-01 | PASS |
| cmake_foss_2022a_min_mpi | 6.185347365605942e-05 | 1.274698235853577e-09 | 3.946434166729342e-01 | PASS |
| eb_foss-2022a | 6.185341487874307e-05 | 1.215920919506175e-09 | 3.764461051102709e-01 | PASS |
| eb_foss-2022b_libxc6 | 6.185341107445286e-05 | 1.212116629289994e-09 | 3.752683062817320e-01 | PASS |
| eb_foss-2022a_debug | 6.185341487874307e-05 | 1.215920919506175e-09 | 3.764461051102709e-01 | PASS |
| intel-2022a_omp_impi | 6.185349408022178e-05 | 1.295122398214943e-09 | 4.009666867538523e-01 | PASS |
| eb_foss-2022a_mpi | 6.185348619247577e-05 | 1.287234652203040e-09 | 3.985246601247802e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | 6.185346703579953e-05 | 1.268077975957738e-09 | 3.925938006061108e-01 | PASS |
| eb_foss-2022a_mpi_debug | 6.185348619247577e-05 | 1.287234652203040e-09 | 3.985246601247802e-01 | PASS |