Match comparison for Exchange energy (match type 13973)

Commits > Commit 15b914f6cf8a906b04634cf1151edac44a3f54fa > Input 14-carbon_dojo_psp8.01-gs.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-4.739893224999999e+01 2.370000000000000e-07 -4.739893224999999e+01 7.105427357601002e-15 -4.739893225000000e+01 0.000000000000000e+00 PASS
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Detailed information

Reference: -47.398932249999994, precision: 0.000000237
Run Value Difference Relative difference Status
cmake_foss_2022a_full_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial_min -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_min -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_ppc -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_min_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_min_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_min -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_mpi_min -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_full_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_debug -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_opt -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_cuda_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_cuda_mpi_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_debug -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_mpi_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_opt -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023b_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2023a_serial_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2023a_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2022a_serial_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2023a_serial_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2023a_impi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_intel-2022a_impi_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS