Match comparison for External energy (match type 30220)

Commits > Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134092172240000e+03 1.920000000000000e-05 -8.134092179514387e+03 1.179191576428826e-05 -8.134092170345000e+03 1.767499998095445e-05 FAIL

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Detailed information

Reference: -8134.09217224, precision: 0.0000192
Run Value Difference Relative difference Status
GCI_foss_min_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
cmake_foss_2022a_full_serial -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.134092185490000e+03 -1.324999993812526e-05 -6.901041634440238e-01 PASS
spack_foss-2023a_serial_min -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2022a_serial_min -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2022a_ppc -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
spack_foss-2022a_serial -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
spack_foss-2023a_serial -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
cmake_foss_2022a_min_mpi -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2022a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
spack_foss-2023a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.134092158710000e+03 1.352999970549718e-05 7.046874846613113e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
cmake_foss_2022a_full_mpi -8.134092186700000e+03 -1.445999987481628e-05 -7.531249934800144e-01 PASS
cmake_foss_2022a_min_serial -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
spack_foss-2023a_mpi_opt -8.134092187830000e+03 -1.558999974804465e-05 -8.119791535439921e-01 PASS
spack_foss-2023a_serial_debug -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2022a_mpi -8.134092185410000e+03 -1.316999987466261e-05 -6.859374934720108e-01 PASS
spack_foss-2023a_mpi -8.134092185400000e+03 -1.315999998041661e-05 -6.854166656466987e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.134092187510000e+03 -1.527000040368875e-05 -7.953125210254560e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_mpi_debug -8.134092152670000e+03 1.956999949470628e-05 1.019270807015952e+00 FAIL
spack_foss-2023a_mpi_omp -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.134092187660000e+03 -1.541999972687336e-05 -8.031249857746541e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.134092187750000e+03 -1.551000059407670e-05 -8.078125309414949e-01 PASS
spack_foss-2023a_serial_opt -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
spack_foss-2023a_serial_omp -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
spack_foss-2023b_serial -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_intel-2023a_serial -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
spack_intel-2022a_serial_omp -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.134092187710000e+03 -1.547000010759803e-05 -8.057291722707305e-01 PASS
spack_intel-2023a_serial_omp -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.134092187680000e+03 -1.544000042486005e-05 -8.041666887947940e-01 PASS
spack_intel-2023a_impi -8.134092187950000e+03 -1.571000029798597e-05 -8.182291821867693e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.134092188020000e+03 -1.578000046720263e-05 -8.218750243334701e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.134092186480000e+03 -1.424000038241502e-05 -7.416666865841156e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.134092187450000e+03 -1.521000012871809e-05 -7.921875067040673e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.134092187100000e+03 -1.486000019212952e-05 -7.739583433400792e-01 PASS
spack_intel-2022a_impi_omp -8.134092187630000e+03 -1.539000004413538e-05 -8.015625022987176e-01 PASS
spack_foss-2022a_cuda_serial -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.134092187890000e+03 -1.565000002301531e-05 -8.151041678653808e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.134092155900000e+03 1.634000000194646e-05 8.510416667680450e-01 PASS