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

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Input 14-fullerene_unpacked.02-td-unpacked.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.184094654954693e+02 3.380000000000000e-11 -3.184094654954728e+02 7.150447879834083e-12 -3.184094654954746e+02 1.415401129634120e-11 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: -318.4094654954693, precision: 0.0000000000338
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -3.184094654954605e+02 8.810729923425242e-12 2.606724829415752e-01 PASS
foss_min_autotools: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_cmake: [foss2022a-serial, foss-full] -3.184094654954605e+02 8.810729923425242e-12 2.606724829415752e-01 PASS
foss_min_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_min_autotools: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_autotools: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_opt_autotools: [foss2023a-serial] -3.184094654954605e+02 8.810729923425242e-12 2.606724829415752e-01 PASS
foss_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_autotools: [foss2022a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
intel_autotools: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -1.328588784024803e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954783e+02 -8.981260180007666e-12 -2.657177568049605e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -5.768429783803890e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -3.184094654954888e+02 -1.949729266925715e-11 -5.768429783803890e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -3.184094654954773e+02 -8.014922059373930e-12 -2.371278715791103e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954785e+02 -9.208633855450898e-12 -2.724447886228076e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.950839227175659e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184094654954748e+02 -5.513811629498377e-12 -1.631305215827922e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184094654954762e+02 -6.878053682157770e-12 -2.034927124898748e-01 PASS
foss_debug_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184094654954637e+02 5.627498467219993e-12 1.664940374917158e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184094654954775e+02 -8.242295734817162e-12 -2.438549033969575e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954768e+02 -7.446487870765850e-12 -2.203102920344926e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -2.354461136246486e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184094654954769e+02 -7.617018127348274e-12 -2.253555658978779e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954738e+02 -4.490630090003833e-12 -1.328588784024803e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954710e+02 -1.648459146963432e-12 -4.877098067939149e-02 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184094654954750e+02 -5.741185304941610e-12 -1.698575534006393e-01 PASS