Match comparison for Total energy (match type 26854)

Commits > Commit bb686499811dbfe67b92ca3aeb5b2659998636fa > Input 10-vdw_d3_dna.02-gs_d3.inp

General information

Reference Precision Mean Standard deviation Midpoint Half width Status
-3.028060295050000e+02 1.810000000000000e-07 -3.028060296516667e+02 7.559026466430550e-08 -3.028060295050000e+02 1.649999887831655e-07 PASS

Checks for this match

  • GPU builders have different values.
    • Intel® builders have different values.
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Detailed information

Reference: -302.806029505, precision: 0.000000181
Run Value Difference Relative difference Status
spack_foss-2022a_serial_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
cmake_foss_2022a_full_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2022a_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2022a_ppc -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2022a_mpi_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS
cmake_foss_2022a_full_mpi -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2022a_mpi -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
cmake_foss_2022a_min_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
cmake_foss_2022a_min_mpi -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_opt_autotools: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-min] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_opt_autotools: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss-cmake: [foss2022a-serial, foss-full] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_intel_autotools: [intel2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_omp_autotools: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_intel_omp_autotools: [intel2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_intel_omp_autotools: [intel2022a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_intel_mpi_autotools: [intel2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi_debug -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_ppc_autotools: [foss2022a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_min_autotools: [foss2022a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_min_autotools: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_min_autotools: [foss2023b-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_autotools: [foss2022a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_autotools: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_autotools: [foss2023b-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_debug_autotools: [foss2023a-serial] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_min_autotools: [foss2022a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_min_autotools: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_autotools: [foss2022a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_autotools: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_omp_autotools: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss_mpi_debug_autotools: [foss2023a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi_opt -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial_debug -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial_opt -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi_omp -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_intel_mpi_omp_autotools: [intel2022a-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023b_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial_omp -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_intel-2023a_serial -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_intel-2022a_serial_omp -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_intel-2023a_serial_omp -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_intel-2023a_impi -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_intel-2022a_impi_omp -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2022a_cuda_mpi_omp -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS
spack_foss-2022a_cuda_serial -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS