Match comparison for External energy (match type 30220)

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Input 14-fullerene_unpacked.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.134092172240000e+03 1.920000000000000e-05 -8.134092180416853e+03 1.032214362343275e-05 -8.134092173105000e+03 1.498499977969914e-05 PASS
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Detailed information

Reference: -8134.09217224, precision: 0.0000192
Run Value Difference Relative difference Status
spack_foss-2023a_serial_min -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_serial_opt -8.134092160920000e+03 1.131999943027040e-05 5.895833036599167e-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-2022a_ppc -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-01 PASS
spack_foss-2023a_serial -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-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
spack_foss-2023a_serial_omp -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
spack_foss-2023a_mpi_opt -8.134092187940000e+03 -1.570000040373998e-05 -8.177083543614572e-01 PASS
spack_foss-2022a_mpi -8.134092187360000e+03 -1.512000017100945e-05 -7.875000089067423e-01 PASS
spack_foss-2023a_mpi -8.134092165810000e+03 6.430000212276354e-06 3.348958443893935e-01 PASS
spack_foss-2023a_serial_debug -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_opt_autotools: [foss2023a-serial] -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
spack_foss-2023a_mpi_debug -8.134092158220000e+03 1.401999998051906e-05 7.302083323187011e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -8.134092186120000e+03 -1.388000055158045e-05 -7.229166953948152e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -8.134092187790000e+03 -1.555000017106067e-05 -8.098958422427435e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -8.134092158120000e+03 1.411999983247370e-05 7.354166579413384e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -8.134092187580000e+03 -1.534000057290541e-05 -7.989583631721568e-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
GCI_foss_min_autotools: [foss2023b-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-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_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -8.134092185340000e+03 -1.309999970544595e-05 -6.822916513253101e-01 PASS
spack_foss-2023a_mpi_omp -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -8.134092160640000e+03 1.160000010713702e-05 6.041666722467198e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -8.134092184620000e+03 -1.238000004377682e-05 -6.447916689467093e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -8.134092187960000e+03 -1.572000019223196e-05 -8.187500100120815e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -8.134092187680000e+03 -1.544000042486005e-05 -8.041666887947940e-01 PASS
cmake_foss_2022a_full_serial -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 -8.134092187730000e+03 -1.548999989609001e-05 -8.067708279213548e-01 PASS
cmake_foss_2022a_full_mpi -8.134092183520000e+03 -1.127999985328643e-05 -5.874999923586681e-01 PASS
spack_intel-2022a_impi_omp -8.134092188090000e+03 -1.584999972692458e-05 -8.255208191106552e-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
spack_intel-2023a_serial_omp -8.134092182770000e+03 -1.053000050887931e-05 -5.484375265041308e-01 PASS
spack_intel-2023a_impi -8.134092187910000e+03 -1.566999981150730e-05 -8.161458235160051e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
spack_foss-2022a_cuda_mpi_omp -8.134092187820000e+03 -1.557999985379865e-05 -8.114583257186799e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -8.134092184190000e+03 -1.195000004372559e-05 -6.223958356107081e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -8.134092186400000e+03 -1.416000031895237e-05 -7.375000166121026e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -8.134092187340000e+03 -1.510000038251746e-05 -7.864583532561180e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -8.134092187340000e+03 -1.510000038251746e-05 -7.864583532561180e-01 PASS
spack_foss-2022a_cuda_serial -8.134092182330000e+03 -1.008999970508739e-05 -5.255208179733017e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -8.134092185000000e+03 -1.276000057259807e-05 -6.645833631561497e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -8.134092187900000e+03 -1.565999991726130e-05 -8.156249956906929e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -8.134092182800000e+03 -1.056000019161729e-05 -5.500000099800673e-01 PASS