Match comparison for Energy [step 20] (match type 30242)

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Input 14-fullerene_unpacked.03-td-packed.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184094654954693e+02 5.150000000000000e-11 -3.184094654954720e+02 7.908082091496641e-12 -3.184094654954719e+02 1.693933882052079e-11 PASS
Checks do not indicate problems with this match.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -318.4094654954693, precision: 0.0000000000515
Run Value Difference Relative difference Status
foss-cmake-zen4: [foss2023a-serial, foss-full] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
foss-cmake-zen4: [foss2023a-serial, foss-min] -3.184094654954549e+02 1.438138497178443e-11 2.792501936268821e-01 PASS
foss_cmake: [foss2022a-serial, foss-min] -3.184094654954605e+02 8.810729923425242e-12 1.710821344354416e-01 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi] -3.184094654954746e+02 -5.286437954055145e-12 -1.026492806612650e-01 PASS
foss-serial-min: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -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
intel_autotools: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -8.719670077677345e-02 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_autotools: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss_autotools: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -1.876384700259682e-02 PASS
foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi] -3.184094654954771e+02 -7.844391802791506e-12 -1.523182874328448e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184094654954769e+02 -7.560174708487466e-12 -1.467995089026692e-01 PASS
intel_omp_autotools: [intel2022a-serial] -3.184094654954766e+02 -7.332801033044234e-12 -1.423844860785288e-01 PASS
foss-serial-debug: [foss2023a-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
intel_omp_autotools: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 2.980140406294789e-02 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954772e+02 -7.901235221652314e-12 -1.534220431388799e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184094654954711e+02 -1.762145984685048e-12 -3.421642688708832e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184094654954775e+02 -8.242295734817162e-12 -1.600445773750905e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954720e+02 -2.728484105318785e-12 -5.298027388968514e-02 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -1.545257988449150e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954771e+02 -7.787548383930698e-12 -1.512145317268097e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954775e+02 -8.242295734817162e-12 -1.600445773750905e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -3.785882071700417e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -3.785882071700417e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184094654954786e+02 -9.265477274311706e-12 -1.799121800837225e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184094654954620e+02 7.332801033044234e-12 1.423844860785288e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184094654954773e+02 -8.014922059373930e-12 -1.556295545509501e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184094654954777e+02 -8.355982572538778e-12 -1.622520887871607e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954742e+02 -4.888534022029489e-12 -9.492299071901920e-02 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954768e+02 -7.446487870765850e-12 -1.445919974905990e-01 PASS