Match comparison for Hartree energy (match type 30311)

Commits > Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 1.440000000000000e-06 3.954895867557668e+03 6.380610749002886e-08 3.954895867490000e+03 1.399998836859595e-07 PASS

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Detailed information

Reference: 3954.89586866, precision: 0.00000144
Run Value Difference Relative difference Status
foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
foss_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
foss_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
intel_autotools: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -7.430555923646252e-01 PASS
foss_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.309999788645655e-06 -9.097220754483715e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -7.222221635553675e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -7.499999633687872e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -7.777777631822068e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867350000e+03 -1.309999788645655e-06 -9.097220754483715e-01 PASS
foss-cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss-cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss-cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867630000e+03 -1.030000021273736e-06 -7.152777925512055e-01 PASS
foss-cmake: [foss2023a-mpi, foss-full-mpi] 3.954895867570000e+03 -1.089999841497047e-06 -7.569443343729493e-01 PASS
foss-cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -7.777777631822068e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -7.777777631822068e-01 PASS
foss-cmake: [foss2023a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -7.708333921780448e-01 PASS