Match comparison for Energy [step 75] (match type 26974)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -3.643829602027540e+00 | 1.360000000000000e-10 | -3.666239042258402e+00 | 7.922933565311435e-02 | -3.795093323383445e+00 | 1.512637214373791e-01 | 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: -3.64382960202754, precision: 0.000000000136| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| foss-2022a_ppc | -3.643829602028240e+00 | -7.003286839335487e-13 | -5.149475617158446e-03 | PASS |
| spack_foss-2022a_serial_min | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| spack_foss-2022a_serial_opt | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| spack_foss-2022a_serial | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| foss-2022a_opt | -3.643829602101774e+00 | -7.423439640774632e-11 | -5.458411500569582e-01 | PASS |
| intel-2022b | -3.643829602037664e+00 | -1.012390171695188e-11 | -7.444045380111675e-02 | PASS |
| intel-2022a | -3.643829602037664e+00 | -1.012390171695188e-11 | -7.444045380111675e-02 | PASS |
| cmake_foss_2022a_full_mpi | -3.643829602091691e+00 | -6.415135089810065e-11 | -4.717011095448577e-01 | PASS |
| spack_foss-2022a_serial_omp | -3.643829602039324e+00 | -1.178390718337141e-11 | -8.664637634831920e-02 | PASS |
| spack_foss-2022a_serial_debug | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| foss-2022a_omp | -3.643829601946066e+00 | 8.147438279593189e-11 | 5.990763440877345e-01 | PASS |
| eb_fosscuda-2022a | -3.946357044788203e+00 | -3.025274427606632e-01 | -2.224466490887230e+09 | FAIL |
| intel-2022a_omp | -3.643829602032473e+00 | -4.932942943014496e-12 | -3.627163928687129e-02 | PASS |
| intel-2022b_impi | -3.643829602031555e+00 | -4.014566457044566e-12 | -2.951887100768063e-02 | PASS |
| intel-2022a_impi | -3.643829602031555e+00 | -4.014566457044566e-12 | -2.951887100768063e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -3.946357044820824e+00 | -3.025274427932838e-01 | -2.224466491127087e+09 | FAIL |
| cmake_foss_2022a_min_serial | -3.643829602065301e+00 | -3.776090551355082e-11 | -2.776537170114031e-01 | PASS |
| foss-2022a_mpi_omp | -3.643829602035971e+00 | -8.430589559793589e-12 | -6.198962911612933e-02 | PASS |
| cmake_foss_2022a_min_mpi | -3.643829602091691e+00 | -6.415135089810065e-11 | -4.717011095448577e-01 | PASS |
| eb_foss-2022a | -3.643829602101774e+00 | -7.423439640774632e-11 | -5.458411500569582e-01 | PASS |
| eb_foss-2022b_libxc6 | -3.643829602011941e+00 | 1.559907758519330e-11 | 1.146990998911272e-01 | PASS |
| eb_foss-2022a_debug | -3.643829602101774e+00 | -7.423439640774632e-11 | -5.458411500569582e-01 | PASS |
| intel-2022a_omp_impi | -3.643829602017384e+00 | 1.015587614006108e-11 | 7.467555985339031e-02 | PASS |
| eb_foss-2022a_mpi | -3.643829602027669e+00 | -1.292299600663682e-13 | -9.502202946056487e-04 | PASS |
| eb_foss-2022b_libxc6_mpi | -3.643829602182148e+00 | -1.546078820524599e-10 | -1.136822662150440e+00 | FAIL |
| eb_foss-2022a_mpi_debug | -3.643829602027669e+00 | -1.292299600663682e-13 | -9.502202946056487e-04 | PASS |