Match comparison for External energy (match type 30479)

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134092172240000e+03 1.920000000000000e-05 -8.134092180044333e+03 1.117121546847378e-05 -8.134092171580000e+03 1.691999977992964e-05 PASS
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Detailed information

Reference: -8134.09217224, precision: 0.0000192
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
foss_min_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
foss_min_autotools: [foss2022a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_min_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_autotools: [foss2022a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
intel_autotools: [intel2023a-serial] -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
foss_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_opt_autotools: [foss2023a-serial] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] -8.134092187850000e+03 -1.561000044603134e-05 -8.130208565641321e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] -8.134092188070000e+03 -1.582999993843259e-05 -8.244791634600309e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] -8.134092184930000e+03 -1.269000040338142e-05 -6.609375210094489e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] -8.134092181800000e+03 -9.559999853081536e-06 -4.979166590146633e-01 PASS
foss_omp_autotools: [foss2023a-serial] -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] -8.134092187860000e+03 -1.562000034027733e-05 -8.135416843894443e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] -8.134092187600000e+03 -1.536000036139740e-05 -8.000000188227812e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] -8.134092182280000e+03 -1.004000023385743e-05 -5.229166788467410e-01 PASS
intel_omp_autotools: [intel2023a-serial] -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
intel_omp_autotools: [intel2022a-serial] -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
foss_debug_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
foss_ppc_autotools: [foss2022a-serial] -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] -8.134092187720000e+03 -1.548000000184402e-05 -8.062500000960426e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] -8.134092188500000e+03 -1.625999993848382e-05 -8.468749967960321e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.134092176630000e+03 -4.389999958220869e-06 -2.286458311573369e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] -8.134092187800000e+03 -1.556000006530667e-05 -8.104166700680556e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS