Match comparison for External energy (match type 26862)

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > 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 -8.194597756500001e+02 1.136868377216160e-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
spack_foss-2022a_serial_min -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_serial_min -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_serial_opt -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023b_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_ppc -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_cuda_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2022a_mpi_min -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_mpi_min -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_serial_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_mpi_opt -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_serial_debug -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-2023a_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_foss-2023a_mpi_debug -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
spack_foss-2023a_mpi_omp -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
cmake_foss_2022a_full_serial -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
cmake_foss_2022a_full_mpi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_intel-2023a_serial -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_intel-2022a_serial_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_intel-2022a_impi_omp -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS
spack_intel-2023a_impi -8.194597756500000e+02 1.136868377216160e-13 2.772849700527220e-07 PASS