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

Commits > Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 > 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 -3.184094654954729e+02 6.975930398947463e-12 -3.184094654954739e+02 1.494981916039251e-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: [foss2022a-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: [foss2023b-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_min_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 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
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
intel_autotools: [intel2023a-serial] -3.184094654954738e+02 -4.490630090003833e-12 -1.328588784024803e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -3.184094654954752e+02 -5.854872142663226e-12 -1.732210693095629e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -3.184094654954771e+02 -7.787548383930698e-12 -2.304008397612632e-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] -3.184094654954763e+02 -6.991740519879386e-12 -2.068562283987984e-01 PASS
foss_omp_autotools: [foss2023a-serial] -3.184094654954627e+02 6.593836587853730e-12 1.950839227175659e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -3.184094654954757e+02 -6.366462912410498e-12 -1.883568908997189e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -3.184094654954708e+02 -1.477928890381008e-12 -4.372570681600616e-02 PASS
intel_omp_autotools: [intel2022a-serial] -3.184094654954766e+02 -7.332801033044234e-12 -2.169467761255690e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -3.184094654954766e+02 -7.275957614183426e-12 -2.152650181711073e-01 PASS
intel_omp_autotools: [intel2023a-serial] -3.184094654954678e+02 1.534772309241816e-12 4.540746477046794e-02 PASS
foss_debug_autotools: [foss2023a-serial] -3.184094654954703e+02 -9.663381206337363e-13 -2.858988522585018e-02 PASS
foss_ppc_autotools: [foss2022a-serial] -3.184094654954775e+02 -8.242295734817162e-12 -2.438549033969575e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -3.184094654954777e+02 -8.412825991399586e-12 -2.489001772603428e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -3.184094654954759e+02 -6.593836587853730e-12 -1.950839227175659e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -3.184094654954740e+02 -4.661160346586257e-12 -1.379041522658656e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -3.184094654954765e+02 -7.219114195322618e-12 -2.135832602166455e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -3.184094654954755e+02 -6.195932655828074e-12 -1.833116170363335e-01 PASS
foss_cmake_ceph: [foss2022a-mpi, foss-min-mpi] -3.184094654954786e+02 -9.322320693172514e-12 -2.758083045317312e-01 PASS
foss_cmake_ceph: [foss2023a-mpi, foss-min-mpi] -3.184094654954766e+02 -7.332801033044234e-12 -2.169467761255690e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -3.184094654954589e+02 1.040234565152787e-11 3.077617056665049e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -3.184094654954773e+02 -7.958078640513122e-12 -2.354461136246486e-01 PASS