Match comparison for External energy (match type 30220)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134092172240000e+03 1.920000000000000e-05 -8.134092180293333e+03 1.047144748335503e-05 -8.134092171750000e+03 1.620000011826050e-05 PASS
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Detailed information

Reference: -8134.09217224, precision: 0.0000192
Run Value Difference Relative difference Status
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
cmake_foss_2022a_min_serial -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-01 PASS
cmake_foss_2022a_min_mpi -8.134092184990000e+03 -1.274999976885738e-05 -6.640624879613218e-01 PASS
cmake_foss_2022a_full_mpi -8.134092187710000e+03 -1.547000010759803e-05 -8.057291722707305e-01 PASS
spack_foss-2022a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
spack_foss-2022a_mpi -8.134092187770000e+03 -1.553000038256869e-05 -8.088541865921192e-01 PASS
spack_foss-2022a_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_mpi -8.134092187950000e+03 -1.571000029798597e-05 -8.182291821867693e-01 PASS
spack_foss-2023a_mpi_min -8.134092177030000e+03 -4.790000275534112e-06 -2.494791810174017e-01 PASS
spack_foss-2023a_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_opt -8.134092180130000e+03 -7.890000233601313e-06 -4.109375121667351e-01 PASS
spack_foss-2023a_mpi_debug -8.134092187700000e+03 -1.546000021335203e-05 -8.052083444454183e-01 PASS
spack_foss-2023a_serial_opt -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_foss-2023a_serial_debug -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
spack_intel-2022a_serial_omp -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
spack_foss-2023a_mpi_omp -8.134092187300000e+03 -1.505999989603879e-05 -7.843749945853536e-01 PASS
spack_intel-2023a_serial -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
spack_intel-2023a_impi -8.134092187620000e+03 -1.538000014988938e-05 -8.010416744734055e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.134092187630000e+03 -1.539000004413538e-05 -8.015625022987176e-01 PASS
spack_intel-2023a_serial_omp -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
spack_intel-2022a_impi_omp -8.134092155550000e+03 1.668999993853504e-05 8.692708301320333e-01 PASS
spack_foss-2022a_cuda_serial -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS