Match comparison for Total energy (match type 28831)
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -9.542175578000000e+01 | 4.360000000000000e-03 | -9.541788143259261e+01 | 4.246794386603473e-05 | -9.541787814000000e+01 | 7.893999999453172e-05 | 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: -95.42175578, precision: 0.00436| Run | Value | Difference | Relative difference | Status |
| cmake_foss_2022a_full_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| spack_foss-2022a_serial_min | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| foss-2022a_ppc | -9.541787407000000e+01 | 3.881710000001704e-03 | 8.903004587159871e-01 | PASS |
| spack_foss-2022a_serial_opt | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| spack_foss-2022a_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| foss-2022a_opt | -9.541795707000000e+01 | 3.798709999998096e-03 | 8.712637614674531e-01 | PASS |
| intel-2022b | -9.541785240000000e+01 | 3.903379999997014e-03 | 8.952706422011500e-01 | PASS |
| intel-2022a | -9.541785240000000e+01 | 3.903379999997014e-03 | 8.952706422011500e-01 | PASS |
| spack_foss-2022a_serial_omp | -9.541788233000000e+01 | 3.873450000000389e-03 | 8.884059633028415e-01 | PASS |
| cmake_foss_2022a_full_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
| spack_foss-2022a_serial_debug | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| foss-2022a_omp | -9.541785779999999e+01 | 3.897980000004964e-03 | 8.940321100928815e-01 | PASS |
| intel-2022a_omp | -9.541790025000000e+01 | 3.855529999995611e-03 | 8.842958715586262e-01 | PASS |
| intel-2022b_impi | -9.541785234000000e+01 | 3.903440000001979e-03 | 8.952844036701786e-01 | PASS |
| intel-2022a_impi | -9.541785234000000e+01 | 3.903440000001979e-03 | 8.952844036701786e-01 | PASS |
| eb_fosscuda-2022a_mpi_omp | -9.541779920000000e+01 | 3.956579999993437e-03 | 9.074724770627148e-01 | PASS |
| eb_fosscuda-2022a | -9.541781515000000e+01 | 3.940630000002443e-03 | 9.038142201840466e-01 | PASS |
| cmake_foss_2022a_min_serial | -9.541786601000000e+01 | 3.889770000000681e-03 | 8.921490825689634e-01 | PASS |
| foss-2022a_mpi_omp | -9.541789559000000e+01 | 3.860189999997488e-03 | 8.853646788985063e-01 | PASS |
| cmake_foss_2022a_min_mpi | -9.541786844000001e+01 | 3.887339999991468e-03 | 8.915917431173092e-01 | PASS |
| eb_foss-2022a | -9.541795707000000e+01 | 3.798709999998096e-03 | 8.712637614674531e-01 | PASS |
| eb_foss-2022b_libxc6 | -9.541789445000001e+01 | 3.861329999992336e-03 | 8.856261467872329e-01 | PASS |
| eb_foss-2022a_debug | -9.541795707000000e+01 | 3.798709999998096e-03 | 8.712637614674531e-01 | PASS |
| intel-2022a_omp_impi | -9.541784144000000e+01 | 3.914339999994354e-03 | 8.977844036684298e-01 | PASS |
| eb_foss-2022a_mpi | -9.541795707999999e+01 | 3.798700000004374e-03 | 8.712614678909113e-01 | PASS |
| eb_foss-2022b_libxc6_mpi | -9.541791061000001e+01 | 3.845169999991072e-03 | 8.819197247685944e-01 | PASS |
| eb_foss-2022a_mpi_debug | -9.541795707999999e+01 | 3.798700000004374e-03 | 8.712614678909113e-01 | PASS |