Match comparison for Energy [step 1] (match type 14351)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.319580964086080e+01 | 1.160000000000000e-12 | -2.319580964086072e+01 | 3.364584076958595e-14 | -2.319580964086073e+01 | 6.927791673660977e-14 | 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: -23.1958096408608, precision: 0.00000000000116| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.319580964086075e+01 | 5.329070518200751e-14 | 4.594026308793751e-02 | PASS |
| spack_foss-2022a_serial_opt | -2.319580964086072e+01 | 8.171241461241152e-14 | 7.044173673483753e-02 | PASS |
| spack_foss-2022a_serial_min | -2.319580964086071e+01 | 9.237055564881302e-14 | 7.962978935242503e-02 | PASS |
| spack_foss-2022a_serial | -2.319580964086071e+01 | 9.237055564881302e-14 | 7.962978935242503e-02 | PASS |
| foss-2022a_opt | -2.319580964086069e+01 | 1.136868377216160e-13 | 9.800589458760003e-02 | PASS |
| intel-2022b | -2.319580964086079e+01 | 1.065814103640150e-14 | 9.188052617587502e-03 | PASS |
| intel-2022a | -2.319580964086079e+01 | 1.065814103640150e-14 | 9.188052617587502e-03 | PASS |
| spack_foss-2022a_serial_omp | -2.319580964086068e+01 | 1.207922650792170e-13 | 1.041312629993250e-01 | PASS |
| spack_foss-2022a_serial_debug | -2.319580964086071e+01 | 9.237055564881302e-14 | 7.962978935242503e-02 | PASS |
| foss-2022a_omp | -2.319580964086069e+01 | 1.101341240428155e-13 | 9.494321038173753e-02 | PASS |
| spack_foss-2022a_mpi | -2.319580964086072e+01 | 7.815970093361102e-14 | 6.737905252897503e-02 | PASS |
| intel-2022a_omp | -2.319580964086073e+01 | 6.750155989720952e-14 | 5.819099991138752e-02 | PASS |
| intel-2022a_impi | -2.319580964086077e+01 | 2.842170943040401e-14 | 2.450147364690001e-02 | PASS |
| cmake_foss_2022a_full_mpi | -2.319580964086071e+01 | 9.237055564881302e-14 | 7.962978935242503e-02 | PASS |
| spack_foss-2022a_mpi_omp | -2.319580964086072e+01 | 8.171241461241152e-14 | 7.044173673483753e-02 | PASS |
| eb_fosscuda-2022a | -2.319580964086066e+01 | 1.385558334732195e-13 | 1.194446840286375e-01 | PASS |
| cmake_foss_2022a_full_serial | -2.319580964086072e+01 | 8.171241461241152e-14 | 7.044173673483753e-02 | PASS |
| cmake_foss_2022a_min_serial | -2.319580964086072e+01 | 8.171241461241152e-14 | 7.044173673483753e-02 | PASS |
| foss-2022a_mpi_omp | -2.319580964086072e+01 | 8.171241461241152e-14 | 7.044173673483753e-02 | PASS |
| cmake_foss_2022a_min_mpi | -2.319580964086072e+01 | 7.815970093361102e-14 | 6.737905252897503e-02 | PASS |
| eb_foss-2022a | -2.319580964086071e+01 | 9.592326932761353e-14 | 8.269247355828753e-02 | PASS |
| eb_foss-2022b_libxc6 | -2.319580964086071e+01 | 9.237055564881302e-14 | 7.962978935242503e-02 | PASS |
| intel-2022a_omp_impi | -2.319580964086080e+01 | 0.000000000000000e+00 | 0.000000000000000e+00 | PASS |
| eb_foss-2022a_debug | -2.319580964086071e+01 | 9.592326932761353e-14 | 8.269247355828753e-02 | PASS |
| eb_foss-2022a_mpi | -2.319580964086073e+01 | 7.460698725481052e-14 | 6.431636832311252e-02 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.319580964086071e+01 | 9.592326932761353e-14 | 8.269247355828753e-02 | PASS |
| eb_foss-2022a_mpi_debug | -2.319580964086073e+01 | 7.460698725481052e-14 | 6.431636832311252e-02 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.319580964086068e+01 | 1.243449787580175e-13 | 1.071939472051875e-01 | PASS |
| intel-2022b_impi | -2.319580964086077e+01 | 2.842170943040401e-14 | 2.450147364690001e-02 | PASS |