Match comparison for Energy [step 50] (match type 25453)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -1.239415486217932e+02 | 7.550000000000000e-09 | -1.239415486249118e+02 | 1.071192833304697e-09 | -1.239415486243635e+02 | 1.481787137436186e-09 | PASS |
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: -123.9415486217932, precision: 0.00000000755| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| spack_foss-2022a_serial_min | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| foss-2022a_ppc | -1.239415486231300e+02 | -1.336829313913768e-09 | -1.770634852865917e-01 | PASS |
| spack_foss-2022a_serial_opt | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| spack_foss-2022a_serial | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| foss-2022a_opt | -1.239415486256198e+02 | -3.826642114290735e-09 | -5.068400151378457e-01 | PASS |
| intel-2022b | -1.239415486237306e+02 | -1.937422666742350e-09 | -2.566122737407086e-01 | PASS |
| intel-2022a | -1.239415486237306e+02 | -1.937422666742350e-09 | -2.566122737407086e-01 | PASS |
| spack_foss-2022a_serial_omp | -1.239415486256640e+02 | -3.870809450745583e-09 | -5.126899934762361e-01 | PASS |
| cmake_foss_2022a_full_mpi | -1.239415486256594e+02 | -3.866148290398996e-09 | -5.120726212449002e-01 | PASS |
| spack_foss-2022a_serial_debug | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| foss-2022a_omp | -1.239415486256597e+02 | -3.866489350912161e-09 | -5.121177948228028e-01 | PASS |
| intel-2022a_omp | -1.239415486233208e+02 | -1.527581616755924e-09 | -2.023286909610496e-01 | PASS |
| intel-2022b_impi | -1.239415486237215e+02 | -1.928256665451045e-09 | -2.553982338345754e-01 | PASS |
| intel-2022a_impi | -1.239415486237215e+02 | -1.928256665451045e-09 | -2.553982338345754e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -1.239415486228870e+02 | -1.093823698283813e-09 | -1.448773110309687e-01 | PASS |
| eb_fosscuda-2022a | -1.239415486228817e+02 | -1.088494627765613e-09 | -1.441714738762401e-01 | PASS |
| cmake_foss_2022a_min_serial | -1.239415486256528e+02 | -3.859639718939434e-09 | -5.112105587999251e-01 | PASS |
| foss-2022a_mpi_omp | -1.239415486256573e+02 | -3.864116138174722e-09 | -5.118034620098970e-01 | PASS |
| cmake_foss_2022a_min_mpi | -1.239415486256364e+02 | -3.843183549179230e-09 | -5.090309336661232e-01 | PASS |
| eb_foss-2022a | -1.239415486256198e+02 | -3.826642114290735e-09 | -5.068400151378457e-01 | PASS |
| eb_foss-2022b_libxc6 | -1.239415486258453e+02 | -4.052068902637984e-09 | -5.366978678990708e-01 | PASS |
| eb_foss-2022a_debug | -1.239415486256198e+02 | -3.826642114290735e-09 | -5.068400151378457e-01 | PASS |
| intel-2022a_omp_impi | -1.239415486237081e+02 | -1.914912672873470e-09 | -2.536308175991351e-01 | PASS |
| eb_foss-2022a_mpi | -1.239415486256513e+02 | -3.858133368339622e-09 | -5.110110421641884e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -1.239415486255843e+02 | -3.791143399212160e-09 | -5.021381985711471e-01 | PASS |
| eb_foss-2022a_mpi_debug | -1.239415486256513e+02 | -3.858133368339622e-09 | -5.110110421641884e-01 | PASS |