Match comparison for Hartree energy (match type 30592)

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > Input 10-fullerene.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
3.954895868660000e+03 9.079999999999999e-06 3.954895867561333e+03 4.944581983997826e-08 3.954895867485000e+03 1.349999365629628e-07 PASS

Checks for this match

  • Mid point of values far away from reference. Recentering may be necessary.
Loading plot...
Get updated match line Get updated match line with fixed reference

Detailed information

Reference: 3954.89586866, precision: 0.00000908
Run Value Difference Relative difference Status
foss_cmake: [foss2022a-serial, foss-min] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_cmake: [foss2022a-serial, foss-full] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_min_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_min_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_min_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_opt_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_autotools: [foss2023b-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_autotools: [foss2022a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
intel_autotools: [intel2023a-serial] 3.954895867590000e+03 -1.070000053005060e-06 -1.178414155291917e-01 PASS
foss_cmake: [foss2023a-mpi, foss-min-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
foss_cmake: [foss2022a-mpi, foss-min-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_mpi_min_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_mpi_min_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_cmake: [foss2022a-mpi, foss-full-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_cmake: [foss2023a-mpi, foss-full-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_mpi_opt_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_omp_autotools: [foss2023a-serial] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_mpi_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
intel_omp_autotools: [intel2023a-serial] 3.954895867580000e+03 -1.079999947251054e-06 -1.189427254681777e-01 PASS
foss_mpi_autotools: [foss2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
intel_omp_autotools: [intel2022a-serial] 3.954895867350000e+03 -1.309999788645655e-06 -1.442731044763937e-01 PASS
foss_debug_autotools: [foss2023a-serial] 3.954895867620000e+03 -1.039999915519729e-06 -1.145374356299261e-01 PASS
foss_ppc_autotools: [foss2022a-serial] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
intel_mpi_autotools: [intel2023a-mpi] 3.954895867540000e+03 -1.119999978982378e-06 -1.233480153064293e-01 PASS
foss_mpi_debug_autotools: [foss2023a-mpi] 3.954895867560000e+03 -1.099999735743040e-06 -1.211453453461498e-01 PASS
foss_cuda_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_mpi_omp_autotools: [foss2023a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS
intel_mpi_omp_autotools: [intel2022a-mpi] 3.954895867550000e+03 -1.110000084736384e-06 -1.222467053674432e-01 PASS