Match comparison for Total energy (match type 361)
Commits >
Commit 3ff81eb5eec95766bdf8121dc6f386e6a0ee7d9a >
Input 02-neon_mpi.02-ground_state-kli_par_domains.inp
General information
Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
-6.103815000000000e+01 | 1.400000000000000e-04 | -6.103801311333334e+01 | 4.714045597952166e-09 | -6.103801311500000e+01 | 5.000000413701855e-09 | PASS |
Checks for this match
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Zen 4 builders have different values.
- Mid point of values far away from reference. Recentering may be necessary.
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Detailed information
Reference: -61.03815, precision: 0.00014Run | Value | Difference | Relative difference | Status |
foss-serial-full: [foss2023a-serial] | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
foss_cmake: [foss2022a-serial, foss-full] | -6.103801311000000e+01 | 1.368900000002782e-04 | 9.777857142877013e-01 | PASS |
foss-cmake-zen4: [foss2023a-serial, foss-full] | -6.103801312000000e+01 | 1.368799999994508e-04 | 9.777142857103628e-01 | PASS |