Match comparison for External energy (match type 26862)

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-8.194597756500001e+02 4.100000000000000e-07 -8.194597756500002e+02 2.273736754432321e-13 -8.194597756500000e+02 0.000000000000000e+00 PASS
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Detailed information

Reference: -819.4597756500001, precision: 0.00000041
Run Value Difference Relative difference Status
foss-2022a_ppc -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cmake_foss_2022a_full_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-2022a_opt -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022a -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cmake_foss_2022a_full_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cmake_foss_2022a_min_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-2022a_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
cmake_foss_2022a_min_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_fosscuda-2022a -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022a_impi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022a -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_cuda_mpi_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022a_debug -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022b_libxc6 -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022a_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
foss-2022a_mpi_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022b_libxc6_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022b -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
eb_foss-2022a_mpi_debug -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022a_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial_debug -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial_min -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022b_impi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial_opt -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_mpi_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
intel-2022a_omp_impi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS