Match comparison for External energy (match type 30220)

Commits > Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134092172240000e+03 1.920000000000000e-05 -8.134092180105265e+03 1.115105691872015e-05 -8.134092171370000e+03 1.670999972702703e-05 PASS
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Detailed information

Reference: -8134.09217224, precision: 0.0000192
Run Value Difference Relative difference Status
GCI_foss_ppc_autotools: [foss2022a-serial] -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
cmake_foss_2022a_full_serial -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
spack_foss-2022a_ppc -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
spack_foss-2023a_serial_opt -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
cmake_foss_2022a_min_serial -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
cmake_foss_2022a_min_mpi -8.134092187230000e+03 -1.498999972682213e-05 -7.807291524386528e-01 PASS
cmake_foss_2022a_full_mpi -8.134092186170000e+03 -1.393000002281042e-05 -7.255208345213759e-01 PASS
spack_foss-2022a_mpi -8.134092159370000e+03 1.286999940930400e-05 6.703124692345834e-01 PASS
spack_foss-2022a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
spack_foss-2022a_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
GCI_foss_min_autotools: [foss2023a-serial] -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-2023a_serial -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
spack_foss-2023a_mpi -8.134092187450000e+03 -1.521000012871809e-05 -7.921875067040673e-01 PASS
spack_foss-2023a_serial_min -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_mpi_opt -8.134092176820000e+03 -4.579999767884146e-06 -2.385416545772993e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_serial_debug -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023b_serial -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_serial_omp -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
spack_foss-2023a_mpi_debug -8.134092159520000e+03 1.272000008611940e-05 6.625000044853854e-01 PASS
GCI_foss_autotools: [foss2022a-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
GCI_foss_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_intel-2022a_serial_omp -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_mpi_omp -8.134092187390000e+03 -1.514999985374743e-05 -7.890624923826788e-01 PASS
spack_intel-2023a_serial -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.134092187860000e+03 -1.562000034027733e-05 -8.135416843894443e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
spack_intel-2023a_impi -8.134092184620000e+03 -1.238000004377682e-05 -6.447916689467093e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.134092187480000e+03 -1.523999981145607e-05 -7.937499901800038e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.134092187980000e+03 -1.573999998072395e-05 -8.197916656627058e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.134092154660000e+03 1.757999962137546e-05 9.156249802799721e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.134092187850000e+03 -1.561000044603134e-05 -8.130208565641321e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-min-mpi] -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.134092187920000e+03 -1.567999970575329e-05 -8.166666513413172e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.134092187770000e+03 -1.553000038256869e-05 -8.088541865921192e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.134092187770000e+03 -1.553000038256869e-05 -8.088541865921192e-01 PASS
GCI_foss-cmake: [foss2023a-mpi, foss-full-mpi] -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
spack_intel-2023a_serial_omp -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
spack_intel-2022a_impi_omp -8.134092187960000e+03 -1.572000019223196e-05 -8.187500100120815e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.134092187650000e+03 -1.540999983262736e-05 -8.026041579493419e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.134092187910000e+03 -1.566999981150730e-05 -8.161458235160051e-01 PASS
spack_foss-2022a_cuda_serial -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] -8.134092188080000e+03 -1.583999983267859e-05 -8.249999912853431e-01 PASS