Match comparison for Total energy (match type 26854)

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > 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 -3.028060296455555e+02 8.642415626984988e-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
cmake_foss_2022a_full_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
cmake_foss_2022a_min_serial -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
cmake_foss_2022a_full_mpi -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
spack_foss-2022a_mpi -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_serial_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_mpi -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
spack_foss-2023a_serial_min -3.028060296700000e+02 -1.649999603614560e-07 -9.116019909472709e-01 PASS
spack_foss-2023a_serial -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_mpi_debug -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-2023b_serial -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_omp -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_foss-2023a_mpi_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-2023a_impi -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_intel-2023a_serial_omp -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_serial -3.028060293400000e+02 1.650000172048749e-07 9.116023049993088e-01 PASS