Match comparison for Total Energy (match type 17891)

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Input 02-octopus_basics-basic_input_options.01-N_atom.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-2.622406766300001e+02 9.950000000000000e-04 -2.622414920159259e+02 4.684372912230765e-04 -2.622407301750000e+02 8.943349999981365e-04 PASS

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Detailed information

Reference: -262.24067663000005, precision: 0.000995
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_serial_min -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_serial_opt -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023b_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_ppc -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_mpi_min -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_serial_debug -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_intel-2022a_serial_omp -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_serial_omp -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_mpi_opt -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
cmake_foss_2022a_full_mpi -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_mpi -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_intel-2023a_impi -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2023a_mpi_debug -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_cuda_mpi_omp -2.622398358400000e+02 8.407900000406698e-04 8.450150754177587e-01 PASS
spack_foss-2023a_mpi_omp -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
cmake_foss_2022a_min_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
cmake_foss_2022a_full_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
cmake_foss_2022a_min_mpi -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_mpi_min -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_intel-2022a_impi_omp -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_intel-2023a_serial -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_mpi -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_intel-2023a_serial_omp -2.622416245100000e+02 -9.478799999556031e-04 -9.526432160357821e-01 PASS
spack_foss-2022a_cuda_serial -2.622398358400000e+02 8.407900000406698e-04 8.450150754177587e-01 PASS