Match comparison for Exchange energy (match type 13973)

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > 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 1.421085471520200e-14 -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
foss-2022a_ppc -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
cmake_foss_2022a_full_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
foss-2022a_opt -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
intel-2022a -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
cmake_foss_2022a_min_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
foss-2022a_omp -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
eb_fosscuda-2022a -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
intel-2022a_impi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
eb_foss-2022a -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
eb_foss-2022a_debug -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
eb_foss-2022b_libxc6 -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
eb_foss-2022a_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
foss-2022a_mpi_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
eb_foss-2022b_libxc6_mpi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
intel-2022b -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
eb_foss-2022a_mpi_debug -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
intel-2022a_omp -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-2022a_serial_debug -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
intel-2022b_impi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_serial_opt -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
spack_foss-2022a_mpi_omp -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS
intel-2022a_omp_impi -4.739893225000000e+01 -7.105427357601002e-15 -2.998070615021520e-08 PASS