Match comparison for Energy [step 20] (match type 30238)

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Input 14-fullerene_unpacked.02-td-unpacked.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184094654954693e+02 5.150000000000000e-11 -3.184094654954694e+02 7.353743155076154e-12 -3.184094654954674e+02 1.244870873051696e-11 PASS

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    Zen 4 builders have different values.
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Detailed information

Reference: -318.4094654954693, precision: 0.0000000000515
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954798e+02 -1.051603248924948e-11 -2.041948056164948e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.184094654954766e+02 -7.332801033044234e-12 -1.423844860785288e-01 PASS
intel_autotools: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -8.719670077677345e-02 PASS
intel_omp_autotools: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 2.980140406294789e-02 PASS
foss-serial-full: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-omp-full: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.280356619000724e-01 PASS
foss-serial-full: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954748e+02 -5.456968210637569e-12 -1.059605477793703e-01 PASS
foss-serial-min: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-opt-full: [foss2023a-serial] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-serial-min: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-serial-min: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
cuda-mpi: [foss2022a-cuda-mpi] -3.184094654954787e+02 -9.436007530894130e-12 -1.832234472018278e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954738e+02 -4.490630090003833e-12 -8.719670077677345e-02 PASS